USER MOD reduce.3.24.130724 H: found=0, std=0, add=1096, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1096 hydrogens (48 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 86 TYR OH : rot 180:sc= -0.222 USER MOD Set 1.2: A 90 GLN : amide:sc= -0.417 X(o=-0.64,f=-0.38) USER MOD Set 2.1: A 29 TYR OH : rot 176:sc= 0.582 USER MOD Set 2.2: A 97 THR OG1 : rot 146:sc= 1.79 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0556 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.0056 X(o=-0.0056,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.647 K(o=-0.65,f=-6!) USER MOD Single : A 38 SER OG : rot 180:sc= -1.2 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot -29:sc= 1.63 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot -94:sc= 0.474 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.884 K(o=-0.88,f=-1.9!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc=-0.00585 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.221 K(o=-0.22,f=-1.9!) USER MOD Single : A 81 THR OG1 : rot 86:sc= 0.826 USER MOD Single : A 87 CYS SG : rot -150:sc= -0.762 USER MOD Single : A 89 HIS : +bothHN:sc= 0.676 K(o=0.68,f=-4.7!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00325) USER MOD Single : A 103 LYS NZ :NH3+ -167:sc=-0.00343 (180deg=-0.118) USER MOD Single : A 108 GLN : amide:sc= -0.159 K(o=-0.16,f=-2.2!) USER MOD Single : A 109 ASN : amide:sc=-0.00864 K(o=-0.0086,f=-0.72) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= 0.116 K(o=0.12,f=-1.3) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -0.137 X(o=-0.14,f=-0.17) USER MOD Single : A 125 ASN : amide:sc= -0.298 X(o=-0.3,f=-0.21) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= 0.708 K(o=0.71,f=-0.23) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 131 ASN : amide:sc= -0.278 X(o=-0.28,f=-0.32) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 -9.676 14.459 -0.603 1.00 13.00 N ATOM 2 CA GLY A 2 -8.258 14.403 -0.903 1.00 45.03 C ATOM 3 C GLY A 2 -7.901 13.236 -1.803 1.00 43.02 C ATOM 4 O GLY A 2 -8.662 12.880 -2.701 1.00 13.52 O ATOM 0 HA2 GLY A 2 -7.954 15.334 -1.382 1.00 45.03 H new ATOM 0 HA3 GLY A 2 -7.696 14.325 0.028 1.00 45.03 H new ATOM 8 N ALA A 3 -6.737 12.640 -1.562 1.00 20.10 N ATOM 9 CA ALA A 3 -6.281 11.507 -2.358 1.00 22.13 C ATOM 10 C ALA A 3 -6.112 10.262 -1.493 1.00 41.10 C ATOM 11 O ALA A 3 -5.513 10.317 -0.420 1.00 3.44 O ATOM 12 CB ALA A 3 -4.974 11.846 -3.059 1.00 5.02 C ATOM 0 H ALA A 3 -6.094 12.923 -0.823 1.00 20.10 H new ATOM 0 HA ALA A 3 -7.040 11.295 -3.111 1.00 22.13 H new ATOM 0 HB1 ALA A 3 -4.645 10.991 -3.650 1.00 5.02 H new ATOM 0 HB2 ALA A 3 -5.125 12.704 -3.715 1.00 5.02 H new ATOM 0 HB3 ALA A 3 -4.214 12.087 -2.316 1.00 5.02 H new ATOM 18 N ARG A 4 -6.644 9.141 -1.968 1.00 51.33 N ATOM 19 CA ARG A 4 -6.554 7.882 -1.237 1.00 41.22 C ATOM 20 C ARG A 4 -6.588 6.694 -2.194 1.00 10.24 C ATOM 21 O ARG A 4 -7.439 5.812 -2.073 1.00 44.21 O ATOM 22 CB ARG A 4 -7.697 7.771 -0.228 1.00 5.43 C ATOM 23 CG ARG A 4 -7.444 6.750 0.870 1.00 11.53 C ATOM 24 CD ARG A 4 -8.210 7.093 2.137 1.00 33.03 C ATOM 25 NE ARG A 4 -7.717 6.350 3.293 1.00 62.41 N ATOM 26 CZ ARG A 4 -8.295 6.380 4.488 1.00 20.44 C ATOM 27 NH1 ARG A 4 -9.383 7.113 4.684 1.00 54.23 N1+ ATOM 28 NH2 ARG A 4 -7.787 5.676 5.491 1.00 3.24 N ATOM 0 H ARG A 4 -7.142 9.078 -2.856 1.00 51.33 H new ATOM 0 HA ARG A 4 -5.604 7.868 -0.702 1.00 41.22 H new ATOM 0 HB2 ARG A 4 -7.865 8.747 0.227 1.00 5.43 H new ATOM 0 HB3 ARG A 4 -8.612 7.504 -0.757 1.00 5.43 H new ATOM 0 HG2 ARG A 4 -7.739 5.760 0.522 1.00 11.53 H new ATOM 0 HG3 ARG A 4 -6.377 6.707 1.089 1.00 11.53 H new ATOM 0 HD2 ARG A 4 -8.128 8.162 2.332 1.00 33.03 H new ATOM 0 HD3 ARG A 4 -9.268 6.876 1.991 1.00 33.03 H new ATOM 0 HE ARG A 4 -6.882 5.776 3.176 1.00 62.41 H new ATOM 0 HH11 ARG A 4 -9.778 7.655 3.916 1.00 54.23 H new ATOM 0 HH12 ARG A 4 -9.825 7.134 5.603 1.00 54.23 H new ATOM 0 HH21 ARG A 4 -6.951 5.110 5.345 1.00 3.24 H new ATOM 0 HH22 ARG A 4 -8.232 5.700 6.408 1.00 3.24 H new ATOM 42 N ALA A 5 -5.660 6.679 -3.144 1.00 53.53 N ATOM 43 CA ALA A 5 -5.583 5.600 -4.121 1.00 33.44 C ATOM 44 C ALA A 5 -6.848 5.538 -4.972 1.00 40.43 C ATOM 45 O ALA A 5 -7.790 6.301 -4.757 1.00 5.11 O ATOM 46 CB ALA A 5 -5.354 4.269 -3.419 1.00 45.34 C ATOM 0 H ALA A 5 -4.950 7.402 -3.258 1.00 53.53 H new ATOM 0 HA ALA A 5 -4.740 5.801 -4.782 1.00 33.44 H new ATOM 0 HB1 ALA A 5 -5.298 3.472 -4.160 1.00 45.34 H new ATOM 0 HB2 ALA A 5 -4.420 4.309 -2.859 1.00 45.34 H new ATOM 0 HB3 ALA A 5 -6.179 4.072 -2.735 1.00 45.34 H new ATOM 52 N SER A 6 -6.860 4.627 -5.940 1.00 1.04 N ATOM 53 CA SER A 6 -8.007 4.471 -6.827 1.00 65.41 C ATOM 54 C SER A 6 -8.234 5.735 -7.650 1.00 40.05 C ATOM 55 O SER A 6 -7.702 6.799 -7.334 1.00 14.24 O ATOM 56 CB SER A 6 -9.264 4.143 -6.018 1.00 43.01 C ATOM 57 OG SER A 6 -10.085 3.216 -6.704 1.00 55.03 O ATOM 0 H SER A 6 -6.089 3.986 -6.130 1.00 1.04 H new ATOM 0 HA SER A 6 -7.797 3.647 -7.509 1.00 65.41 H new ATOM 0 HB2 SER A 6 -8.980 3.734 -5.049 1.00 43.01 H new ATOM 0 HB3 SER A 6 -9.825 5.057 -5.826 1.00 43.01 H new ATOM 0 HG SER A 6 -10.880 3.022 -6.165 1.00 55.03 H new ATOM 63 N VAL A 7 -9.026 5.609 -8.710 1.00 33.34 N ATOM 64 CA VAL A 7 -9.326 6.740 -9.580 1.00 24.14 C ATOM 65 C VAL A 7 -10.584 7.469 -9.120 1.00 74.01 C ATOM 66 O VAL A 7 -10.535 8.643 -8.751 1.00 41.12 O ATOM 67 CB VAL A 7 -9.511 6.291 -11.041 1.00 62.11 C ATOM 68 CG1 VAL A 7 -9.795 7.488 -11.935 1.00 73.23 C ATOM 69 CG2 VAL A 7 -8.284 5.533 -11.524 1.00 63.05 C ATOM 0 H VAL A 7 -9.472 4.734 -8.987 1.00 33.34 H new ATOM 0 HA VAL A 7 -8.475 7.418 -9.522 1.00 24.14 H new ATOM 0 HB VAL A 7 -10.368 5.619 -11.091 1.00 62.11 H new ATOM 0 HG11 VAL A 7 -9.923 7.152 -12.964 1.00 73.23 H new ATOM 0 HG12 VAL A 7 -10.706 7.985 -11.600 1.00 73.23 H new ATOM 0 HG13 VAL A 7 -8.960 8.187 -11.883 1.00 73.23 H new ATOM 0 HG21 VAL A 7 -8.432 5.223 -12.558 1.00 63.05 H new ATOM 0 HG22 VAL A 7 -7.409 6.179 -11.460 1.00 63.05 H new ATOM 0 HG23 VAL A 7 -8.131 4.653 -10.900 1.00 63.05 H new ATOM 79 N LEU A 8 -11.711 6.765 -9.145 1.00 2.31 N ATOM 80 CA LEU A 8 -12.984 7.345 -8.730 1.00 71.12 C ATOM 81 C LEU A 8 -13.540 6.620 -7.509 1.00 21.21 C ATOM 82 O LEU A 8 -13.782 5.413 -7.547 1.00 43.40 O ATOM 83 CB LEU A 8 -13.993 7.282 -9.878 1.00 32.41 C ATOM 84 CG LEU A 8 -13.655 8.115 -11.115 1.00 33.50 C ATOM 85 CD1 LEU A 8 -14.793 8.058 -12.123 1.00 42.23 C ATOM 86 CD2 LEU A 8 -13.358 9.555 -10.724 1.00 71.40 C ATOM 0 H LEU A 8 -11.769 5.793 -9.448 1.00 2.31 H new ATOM 0 HA LEU A 8 -12.811 8.387 -8.463 1.00 71.12 H new ATOM 0 HB2 LEU A 8 -14.101 6.241 -10.184 1.00 32.41 H new ATOM 0 HB3 LEU A 8 -14.963 7.605 -9.501 1.00 32.41 H new ATOM 0 HG LEU A 8 -12.763 7.695 -11.580 1.00 33.50 H new ATOM 0 HD11 LEU A 8 -14.535 8.656 -12.997 1.00 42.23 H new ATOM 0 HD12 LEU A 8 -14.958 7.024 -12.427 1.00 42.23 H new ATOM 0 HD13 LEU A 8 -15.702 8.452 -11.668 1.00 42.23 H new ATOM 0 HD21 LEU A 8 -13.120 10.133 -11.617 1.00 71.40 H new ATOM 0 HD22 LEU A 8 -14.231 9.987 -10.235 1.00 71.40 H new ATOM 0 HD23 LEU A 8 -12.510 9.579 -10.039 1.00 71.40 H new ATOM 98 N SER A 9 -13.741 7.364 -6.426 1.00 15.24 N ATOM 99 CA SER A 9 -14.268 6.793 -5.192 1.00 14.23 C ATOM 100 C SER A 9 -15.737 6.414 -5.352 1.00 54.54 C ATOM 101 O SER A 9 -16.298 6.505 -6.444 1.00 3.52 O ATOM 102 CB SER A 9 -14.108 7.784 -4.037 1.00 63.15 C ATOM 103 OG SER A 9 -15.097 8.796 -4.094 1.00 1.24 O ATOM 0 H SER A 9 -13.547 8.364 -6.378 1.00 15.24 H new ATOM 0 HA SER A 9 -13.700 5.890 -4.968 1.00 14.23 H new ATOM 0 HB2 SER A 9 -14.179 7.255 -3.087 1.00 63.15 H new ATOM 0 HB3 SER A 9 -13.117 8.237 -4.076 1.00 63.15 H new ATOM 0 HG SER A 9 -14.975 9.416 -3.345 1.00 1.24 H new ATOM 109 N GLY A 10 -16.355 5.988 -4.255 1.00 51.50 N ATOM 110 CA GLY A 10 -17.754 5.602 -4.293 1.00 73.53 C ATOM 111 C GLY A 10 -18.640 6.691 -4.862 1.00 14.25 C ATOM 112 O GLY A 10 -19.446 6.441 -5.759 1.00 63.22 O ATOM 0 H GLY A 10 -15.912 5.903 -3.340 1.00 51.50 H new ATOM 0 HA2 GLY A 10 -17.862 4.699 -4.894 1.00 73.53 H new ATOM 0 HA3 GLY A 10 -18.087 5.356 -3.285 1.00 73.53 H new ATOM 116 N GLY A 11 -18.495 7.904 -4.338 1.00 11.02 N ATOM 117 CA GLY A 11 -19.298 9.017 -4.810 1.00 51.12 C ATOM 118 C GLY A 11 -19.040 9.340 -6.269 1.00 15.15 C ATOM 119 O GLY A 11 -19.977 9.472 -7.056 1.00 74.01 O ATOM 0 H GLY A 11 -17.836 8.136 -3.595 1.00 11.02 H new ATOM 0 HA2 GLY A 11 -20.354 8.783 -4.674 1.00 51.12 H new ATOM 0 HA3 GLY A 11 -19.086 9.897 -4.203 1.00 51.12 H new ATOM 123 N GLU A 12 -17.767 9.469 -6.630 1.00 1.04 N ATOM 124 CA GLU A 12 -17.391 9.781 -8.004 1.00 3.22 C ATOM 125 C GLU A 12 -17.895 8.708 -8.963 1.00 23.52 C ATOM 126 O GLU A 12 -18.356 9.010 -10.064 1.00 74.24 O ATOM 127 CB GLU A 12 -15.871 9.913 -8.121 1.00 11.50 C ATOM 128 CG GLU A 12 -15.250 10.780 -7.039 1.00 42.10 C ATOM 129 CD GLU A 12 -13.779 11.054 -7.284 1.00 44.10 C ATOM 130 OE1 GLU A 12 -12.955 10.157 -7.006 1.00 32.31 O ATOM 131 OE2 GLU A 12 -13.451 12.164 -7.752 1.00 73.44 O1- ATOM 0 H GLU A 12 -16.979 9.362 -5.991 1.00 1.04 H new ATOM 0 HA GLU A 12 -17.853 10.730 -8.274 1.00 3.22 H new ATOM 0 HB2 GLU A 12 -15.424 8.920 -8.080 1.00 11.50 H new ATOM 0 HB3 GLU A 12 -15.625 10.333 -9.097 1.00 11.50 H new ATOM 0 HG2 GLU A 12 -15.788 11.726 -6.984 1.00 42.10 H new ATOM 0 HG3 GLU A 12 -15.368 10.289 -6.073 1.00 42.10 H new ATOM 138 N LEU A 13 -17.803 7.452 -8.537 1.00 13.44 N ATOM 139 CA LEU A 13 -18.249 6.331 -9.358 1.00 0.42 C ATOM 140 C LEU A 13 -19.728 6.466 -9.707 1.00 2.42 C ATOM 141 O LEU A 13 -20.154 6.103 -10.803 1.00 52.44 O ATOM 142 CB LEU A 13 -18.004 5.010 -8.628 1.00 71.34 C ATOM 143 CG LEU A 13 -17.916 3.763 -9.509 1.00 24.21 C ATOM 144 CD1 LEU A 13 -17.368 2.587 -8.716 1.00 42.35 C ATOM 145 CD2 LEU A 13 -19.281 3.424 -10.093 1.00 4.02 C ATOM 0 H LEU A 13 -17.424 7.185 -7.629 1.00 13.44 H new ATOM 0 HA LEU A 13 -17.674 6.339 -10.284 1.00 0.42 H new ATOM 0 HB2 LEU A 13 -17.076 5.097 -8.062 1.00 71.34 H new ATOM 0 HB3 LEU A 13 -18.806 4.864 -7.904 1.00 71.34 H new ATOM 0 HG LEU A 13 -17.232 3.971 -10.332 1.00 24.21 H new ATOM 0 HD11 LEU A 13 -17.313 1.709 -9.359 1.00 42.35 H new ATOM 0 HD12 LEU A 13 -16.372 2.830 -8.347 1.00 42.35 H new ATOM 0 HD13 LEU A 13 -18.027 2.378 -7.873 1.00 42.35 H new ATOM 0 HD21 LEU A 13 -19.199 2.534 -10.717 1.00 4.02 H new ATOM 0 HD22 LEU A 13 -19.986 3.236 -9.284 1.00 4.02 H new ATOM 0 HD23 LEU A 13 -19.636 4.259 -10.697 1.00 4.02 H new ATOM 157 N ASP A 14 -20.507 6.992 -8.767 1.00 62.01 N ATOM 158 CA ASP A 14 -21.938 7.178 -8.976 1.00 24.12 C ATOM 159 C ASP A 14 -22.199 8.099 -10.163 1.00 53.02 C ATOM 160 O ASP A 14 -22.839 7.706 -11.139 1.00 11.10 O ATOM 161 CB ASP A 14 -22.587 7.753 -7.716 1.00 31.04 C ATOM 162 CG ASP A 14 -23.469 6.745 -7.007 1.00 64.43 C ATOM 163 OD1 ASP A 14 -22.972 5.645 -6.686 1.00 62.52 O ATOM 164 OD2 ASP A 14 -24.655 7.055 -6.771 1.00 32.12 O1- ATOM 0 H ASP A 14 -20.171 7.297 -7.853 1.00 62.01 H new ATOM 0 HA ASP A 14 -22.379 6.205 -9.192 1.00 24.12 H new ATOM 0 HB2 ASP A 14 -21.809 8.094 -7.033 1.00 31.04 H new ATOM 0 HB3 ASP A 14 -23.181 8.627 -7.983 1.00 31.04 H new ATOM 169 N LYS A 15 -21.699 9.327 -10.074 1.00 74.21 N ATOM 170 CA LYS A 15 -21.877 10.305 -11.141 1.00 54.02 C ATOM 171 C LYS A 15 -21.219 9.828 -12.432 1.00 31.34 C ATOM 172 O LYS A 15 -21.758 10.019 -13.522 1.00 4.35 O ATOM 173 CB LYS A 15 -21.289 11.656 -10.725 1.00 74.51 C ATOM 174 CG LYS A 15 -22.133 12.397 -9.704 1.00 3.01 C ATOM 175 CD LYS A 15 -21.450 13.670 -9.235 1.00 4.42 C ATOM 176 CE LYS A 15 -21.939 14.092 -7.858 1.00 31.15 C ATOM 177 NZ LYS A 15 -20.937 13.796 -6.797 1.00 72.41 N1+ ATOM 0 H LYS A 15 -21.167 9.669 -9.274 1.00 74.21 H new ATOM 0 HA LYS A 15 -22.946 10.420 -11.320 1.00 54.02 H new ATOM 0 HB2 LYS A 15 -20.292 11.498 -10.314 1.00 74.51 H new ATOM 0 HB3 LYS A 15 -21.173 12.281 -11.611 1.00 74.51 H new ATOM 0 HG2 LYS A 15 -23.101 12.642 -10.140 1.00 3.01 H new ATOM 0 HG3 LYS A 15 -22.323 11.749 -8.849 1.00 3.01 H new ATOM 0 HD2 LYS A 15 -20.371 13.516 -9.207 1.00 4.42 H new ATOM 0 HD3 LYS A 15 -21.640 14.470 -9.950 1.00 4.42 H new ATOM 0 HE2 LYS A 15 -22.158 15.160 -7.862 1.00 31.15 H new ATOM 0 HE3 LYS A 15 -22.872 13.576 -7.630 1.00 31.15 H new ATOM 0 HZ1 LYS A 15 -21.309 14.099 -5.874 1.00 72.41 H new ATOM 0 HZ2 LYS A 15 -20.746 12.774 -6.775 1.00 72.41 H new ATOM 0 HZ3 LYS A 15 -20.055 14.308 -7.000 1.00 72.41 H new ATOM 191 N TRP A 16 -20.053 9.206 -12.301 1.00 44.23 N ATOM 192 CA TRP A 16 -19.322 8.701 -13.458 1.00 54.13 C ATOM 193 C TRP A 16 -20.209 7.799 -14.311 1.00 24.24 C ATOM 194 O TRP A 16 -20.308 7.979 -15.524 1.00 25.21 O ATOM 195 CB TRP A 16 -18.078 7.934 -13.006 1.00 34.33 C ATOM 196 CG TRP A 16 -17.373 7.232 -14.128 1.00 44.54 C ATOM 197 CD1 TRP A 16 -17.519 5.927 -14.498 1.00 33.32 C ATOM 198 CD2 TRP A 16 -16.410 7.801 -15.021 1.00 74.25 C ATOM 199 NE1 TRP A 16 -16.705 5.648 -15.569 1.00 60.21 N ATOM 200 CE2 TRP A 16 -16.015 6.781 -15.910 1.00 43.41 C ATOM 201 CE3 TRP A 16 -15.845 9.071 -15.161 1.00 64.13 C ATOM 202 CZ2 TRP A 16 -15.080 6.995 -16.920 1.00 23.14 C ATOM 203 CZ3 TRP A 16 -14.917 9.281 -16.162 1.00 52.31 C ATOM 204 CH2 TRP A 16 -14.542 8.248 -17.033 1.00 4.23 C ATOM 0 H TRP A 16 -19.593 9.039 -11.406 1.00 44.23 H new ATOM 0 HA TRP A 16 -19.014 9.554 -14.063 1.00 54.13 H new ATOM 0 HB2 TRP A 16 -17.386 8.628 -12.529 1.00 34.33 H new ATOM 0 HB3 TRP A 16 -18.366 7.201 -12.252 1.00 34.33 H new ATOM 0 HD1 TRP A 16 -18.178 5.217 -14.019 1.00 33.32 H new ATOM 0 HE1 TRP A 16 -16.627 4.744 -16.035 1.00 60.21 H new ATOM 0 HE3 TRP A 16 -16.129 9.875 -14.498 1.00 64.13 H new ATOM 0 HZ2 TRP A 16 -14.790 6.200 -17.591 1.00 23.14 H new ATOM 0 HZ3 TRP A 16 -14.472 10.258 -16.276 1.00 52.31 H new ATOM 0 HH2 TRP A 16 -13.815 8.445 -17.807 1.00 4.23 H new ATOM 215 N GLU A 17 -20.852 6.829 -13.667 1.00 43.52 N ATOM 216 CA GLU A 17 -21.730 5.899 -14.368 1.00 2.30 C ATOM 217 C GLU A 17 -22.883 6.641 -15.037 1.00 52.01 C ATOM 218 O GLU A 17 -23.446 6.172 -16.026 1.00 15.45 O ATOM 219 CB GLU A 17 -22.277 4.851 -13.398 1.00 21.20 C ATOM 220 CG GLU A 17 -21.446 3.580 -13.343 1.00 32.24 C ATOM 221 CD GLU A 17 -22.284 2.347 -13.065 1.00 23.53 C ATOM 222 OE1 GLU A 17 -22.975 2.323 -12.024 1.00 31.24 O ATOM 223 OE2 GLU A 17 -22.249 1.407 -13.885 1.00 62.52 O1- ATOM 0 H GLU A 17 -20.781 6.667 -12.662 1.00 43.52 H new ATOM 0 HA GLU A 17 -21.146 5.398 -15.140 1.00 2.30 H new ATOM 0 HB2 GLU A 17 -22.329 5.285 -12.399 1.00 21.20 H new ATOM 0 HB3 GLU A 17 -23.296 4.596 -13.688 1.00 21.20 H new ATOM 0 HG2 GLU A 17 -20.921 3.452 -14.290 1.00 32.24 H new ATOM 0 HG3 GLU A 17 -20.686 3.680 -12.568 1.00 32.24 H new ATOM 230 N LYS A 18 -23.230 7.801 -14.491 1.00 62.01 N ATOM 231 CA LYS A 18 -24.315 8.610 -15.034 1.00 20.23 C ATOM 232 C LYS A 18 -23.868 9.346 -16.292 1.00 45.52 C ATOM 233 O LYS A 18 -24.575 9.357 -17.300 1.00 42.22 O ATOM 234 CB LYS A 18 -24.802 9.615 -13.988 1.00 33.02 C ATOM 235 CG LYS A 18 -26.289 9.514 -13.694 1.00 41.21 C ATOM 236 CD LYS A 18 -26.553 9.307 -12.212 1.00 72.33 C ATOM 237 CE LYS A 18 -28.037 9.398 -11.891 1.00 52.24 C ATOM 238 NZ LYS A 18 -28.291 9.348 -10.425 1.00 52.22 N1+ ATOM 0 H LYS A 18 -22.775 8.203 -13.671 1.00 62.01 H new ATOM 0 HA LYS A 18 -25.136 7.943 -15.297 1.00 20.23 H new ATOM 0 HB2 LYS A 18 -24.246 9.462 -13.063 1.00 33.02 H new ATOM 0 HB3 LYS A 18 -24.576 10.624 -14.333 1.00 33.02 H new ATOM 0 HG2 LYS A 18 -26.789 10.422 -14.030 1.00 41.21 H new ATOM 0 HG3 LYS A 18 -26.717 8.686 -14.260 1.00 41.21 H new ATOM 0 HD2 LYS A 18 -26.173 8.332 -11.907 1.00 72.33 H new ATOM 0 HD3 LYS A 18 -26.009 10.056 -11.637 1.00 72.33 H new ATOM 0 HE2 LYS A 18 -28.440 10.325 -12.298 1.00 52.24 H new ATOM 0 HE3 LYS A 18 -28.565 8.579 -12.379 1.00 52.24 H new ATOM 0 HZ1 LYS A 18 -29.314 9.413 -10.247 1.00 52.22 H new ATOM 0 HZ2 LYS A 18 -27.929 8.452 -10.040 1.00 52.22 H new ATOM 0 HZ3 LYS A 18 -27.808 10.144 -9.962 1.00 52.22 H new ATOM 252 N ILE A 19 -22.691 9.960 -16.227 1.00 62.43 N ATOM 253 CA ILE A 19 -22.149 10.696 -17.362 1.00 11.11 C ATOM 254 C ILE A 19 -22.156 9.842 -18.625 1.00 32.53 C ATOM 255 O ILE A 19 -21.830 8.655 -18.587 1.00 64.42 O ATOM 256 CB ILE A 19 -20.711 11.175 -17.089 1.00 43.10 C ATOM 257 CG1 ILE A 19 -20.675 12.066 -15.845 1.00 33.21 C ATOM 258 CG2 ILE A 19 -20.161 11.919 -18.296 1.00 15.53 C ATOM 259 CD1 ILE A 19 -19.294 12.212 -15.246 1.00 3.34 C ATOM 0 H ILE A 19 -22.095 9.962 -15.400 1.00 62.43 H new ATOM 0 HA ILE A 19 -22.791 11.565 -17.509 1.00 11.11 H new ATOM 0 HB ILE A 19 -20.082 10.303 -16.908 1.00 43.10 H new ATOM 0 HG12 ILE A 19 -21.056 13.054 -16.104 1.00 33.21 H new ATOM 0 HG13 ILE A 19 -21.347 11.653 -15.093 1.00 33.21 H new ATOM 0 HG21 ILE A 19 -19.144 12.251 -18.087 1.00 15.53 H new ATOM 0 HG22 ILE A 19 -20.155 11.256 -19.161 1.00 15.53 H new ATOM 0 HG23 ILE A 19 -20.789 12.785 -18.507 1.00 15.53 H new ATOM 0 HD11 ILE A 19 -19.344 12.856 -14.368 1.00 3.34 H new ATOM 0 HD12 ILE A 19 -18.918 11.231 -14.955 1.00 3.34 H new ATOM 0 HD13 ILE A 19 -18.623 12.654 -15.982 1.00 3.34 H new ATOM 271 N ARG A 20 -22.529 10.454 -19.745 1.00 33.22 N ATOM 272 CA ARG A 20 -22.578 9.750 -21.020 1.00 32.13 C ATOM 273 C ARG A 20 -21.313 10.009 -21.833 1.00 52.24 C ATOM 274 O ARG A 20 -20.616 11.002 -21.618 1.00 34.14 O ATOM 275 CB ARG A 20 -23.808 10.183 -21.819 1.00 32.31 C ATOM 276 CG ARG A 20 -25.120 9.966 -21.082 1.00 51.33 C ATOM 277 CD ARG A 20 -26.307 10.014 -22.032 1.00 42.22 C ATOM 278 NE ARG A 20 -27.578 10.080 -21.316 1.00 52.52 N ATOM 279 CZ ARG A 20 -28.759 10.164 -21.921 1.00 63.10 C ATOM 280 NH1 ARG A 20 -28.829 10.191 -23.245 1.00 41.12 N1+ ATOM 281 NH2 ARG A 20 -29.871 10.220 -21.201 1.00 22.42 N ATOM 0 H ARG A 20 -22.801 11.436 -19.794 1.00 33.22 H new ATOM 0 HA ARG A 20 -22.645 8.682 -20.814 1.00 32.13 H new ATOM 0 HB2 ARG A 20 -23.713 11.239 -22.072 1.00 32.31 H new ATOM 0 HB3 ARG A 20 -23.833 9.631 -22.759 1.00 32.31 H new ATOM 0 HG2 ARG A 20 -25.098 9.002 -20.574 1.00 51.33 H new ATOM 0 HG3 ARG A 20 -25.237 10.729 -20.313 1.00 51.33 H new ATOM 0 HD2 ARG A 20 -26.214 10.881 -22.686 1.00 42.22 H new ATOM 0 HD3 ARG A 20 -26.296 9.131 -22.671 1.00 42.22 H new ATOM 0 HE ARG A 20 -27.559 10.061 -20.296 1.00 52.52 H new ATOM 0 HH11 ARG A 20 -27.976 10.147 -23.802 1.00 41.12 H new ATOM 0 HH12 ARG A 20 -29.736 10.255 -23.707 1.00 41.12 H new ATOM 0 HH21 ARG A 20 -29.821 10.199 -20.182 1.00 22.42 H new ATOM 0 HH22 ARG A 20 -30.777 10.284 -21.666 1.00 22.42 H new ATOM 295 N LEU A 21 -21.022 9.110 -22.767 1.00 12.32 N ATOM 296 CA LEU A 21 -19.840 9.240 -23.613 1.00 14.24 C ATOM 297 C LEU A 21 -20.016 10.369 -24.625 1.00 24.15 C ATOM 298 O LEU A 21 -19.053 11.043 -24.992 1.00 21.33 O ATOM 299 CB LEU A 21 -19.563 7.925 -24.343 1.00 12.23 C ATOM 300 CG LEU A 21 -19.752 6.650 -23.522 1.00 72.31 C ATOM 301 CD1 LEU A 21 -19.496 5.420 -24.379 1.00 41.10 C ATOM 302 CD2 LEU A 21 -18.834 6.655 -22.308 1.00 13.34 C ATOM 0 H LEU A 21 -21.588 8.283 -22.958 1.00 12.32 H new ATOM 0 HA LEU A 21 -18.991 9.479 -22.973 1.00 14.24 H new ATOM 0 HB2 LEU A 21 -20.215 7.872 -25.215 1.00 12.23 H new ATOM 0 HB3 LEU A 21 -18.538 7.947 -24.713 1.00 12.23 H new ATOM 0 HG LEU A 21 -20.784 6.617 -23.173 1.00 72.31 H new ATOM 0 HD11 LEU A 21 -19.635 4.522 -23.777 1.00 41.10 H new ATOM 0 HD12 LEU A 21 -20.194 5.408 -25.216 1.00 41.10 H new ATOM 0 HD13 LEU A 21 -18.475 5.447 -24.759 1.00 41.10 H new ATOM 0 HD21 LEU A 21 -18.983 5.739 -21.736 1.00 13.34 H new ATOM 0 HD22 LEU A 21 -17.796 6.713 -22.637 1.00 13.34 H new ATOM 0 HD23 LEU A 21 -19.065 7.516 -21.681 1.00 13.34 H new ATOM 314 N ARG A 22 -21.253 10.571 -25.068 1.00 42.14 N ATOM 315 CA ARG A 22 -21.555 11.619 -26.036 1.00 62.21 C ATOM 316 C ARG A 22 -22.825 12.369 -25.645 1.00 2.22 C ATOM 317 O ARG A 22 -23.654 11.880 -24.877 1.00 45.31 O ATOM 318 CB ARG A 22 -21.714 11.021 -27.435 1.00 63.43 C ATOM 319 CG ARG A 22 -20.415 10.960 -28.222 1.00 52.34 C ATOM 320 CD ARG A 22 -20.584 10.182 -29.517 1.00 74.44 C ATOM 321 NE ARG A 22 -19.761 8.976 -29.542 1.00 20.31 N ATOM 322 CZ ARG A 22 -19.902 8.007 -30.441 1.00 13.44 C ATOM 323 NH1 ARG A 22 -20.829 8.104 -31.384 1.00 15.42 N1+ ATOM 324 NH2 ARG A 22 -19.115 6.941 -30.398 1.00 73.33 N ATOM 0 H ARG A 22 -22.061 10.023 -24.772 1.00 42.14 H new ATOM 0 HA ARG A 22 -20.724 12.324 -26.042 1.00 62.21 H new ATOM 0 HB2 ARG A 22 -22.123 10.015 -27.346 1.00 63.43 H new ATOM 0 HB3 ARG A 22 -22.440 11.612 -27.993 1.00 63.43 H new ATOM 0 HG2 ARG A 22 -20.076 11.972 -28.446 1.00 52.34 H new ATOM 0 HG3 ARG A 22 -19.641 10.492 -27.613 1.00 52.34 H new ATOM 0 HD2 ARG A 22 -21.632 9.909 -29.642 1.00 74.44 H new ATOM 0 HD3 ARG A 22 -20.319 10.820 -30.360 1.00 74.44 H new ATOM 0 HE ARG A 22 -19.038 8.871 -28.830 1.00 20.31 H new ATOM 0 HH11 ARG A 22 -21.436 8.923 -31.421 1.00 15.42 H new ATOM 0 HH12 ARG A 22 -20.936 7.359 -32.073 1.00 15.42 H new ATOM 0 HH21 ARG A 22 -18.400 6.864 -29.674 1.00 73.33 H new ATOM 0 HH22 ARG A 22 -19.224 6.198 -31.088 1.00 73.33 H new ATOM 338 N PRO A 23 -22.982 13.587 -26.186 1.00 23.25 N ATOM 339 CA PRO A 23 -24.148 14.432 -25.908 1.00 22.20 C ATOM 340 C PRO A 23 -25.425 13.881 -26.534 1.00 51.13 C ATOM 341 O PRO A 23 -26.485 13.885 -25.910 1.00 15.04 O ATOM 342 CB PRO A 23 -23.775 15.772 -26.545 1.00 0.20 C ATOM 343 CG PRO A 23 -22.800 15.424 -27.616 1.00 71.42 C ATOM 344 CD PRO A 23 -22.035 14.233 -27.109 1.00 52.33 C ATOM 0 HA PRO A 23 -24.360 14.497 -24.841 1.00 22.20 H new ATOM 0 HB2 PRO A 23 -24.652 16.273 -26.955 1.00 0.20 H new ATOM 0 HB3 PRO A 23 -23.334 16.449 -25.813 1.00 0.20 H new ATOM 0 HG2 PRO A 23 -23.312 15.190 -28.549 1.00 71.42 H new ATOM 0 HG3 PRO A 23 -22.131 16.259 -27.821 1.00 71.42 H new ATOM 0 HD2 PRO A 23 -21.747 13.565 -27.921 1.00 52.33 H new ATOM 0 HD3 PRO A 23 -21.118 14.531 -26.600 1.00 52.33 H new ATOM 352 N GLY A 24 -25.315 13.407 -27.771 1.00 52.12 N ATOM 353 CA GLY A 24 -26.469 12.859 -28.461 1.00 50.04 C ATOM 354 C GLY A 24 -26.383 11.355 -28.629 1.00 41.01 C ATOM 355 O GLY A 24 -26.468 10.843 -29.744 1.00 34.11 O ATOM 0 H GLY A 24 -24.448 13.392 -28.308 1.00 52.12 H new ATOM 0 HA2 GLY A 24 -27.373 13.108 -27.905 1.00 50.04 H new ATOM 0 HA3 GLY A 24 -26.558 13.327 -29.442 1.00 50.04 H new ATOM 359 N GLY A 25 -26.213 10.645 -27.518 1.00 51.34 N ATOM 360 CA GLY A 25 -26.117 9.199 -27.570 1.00 25.31 C ATOM 361 C GLY A 25 -26.986 8.522 -26.528 1.00 40.31 C ATOM 362 O GLY A 25 -27.702 9.186 -25.780 1.00 1.53 O ATOM 0 H GLY A 25 -26.140 11.046 -26.583 1.00 51.34 H new ATOM 0 HA2 GLY A 25 -26.409 8.854 -28.562 1.00 25.31 H new ATOM 0 HA3 GLY A 25 -25.079 8.901 -27.422 1.00 25.31 H new ATOM 366 N LYS A 26 -26.924 7.195 -26.480 1.00 0.14 N ATOM 367 CA LYS A 26 -27.712 6.428 -25.523 1.00 31.25 C ATOM 368 C LYS A 26 -26.821 5.494 -24.710 1.00 12.14 C ATOM 369 O LYS A 26 -27.267 4.448 -24.238 1.00 5.11 O ATOM 370 CB LYS A 26 -28.788 5.617 -26.250 1.00 54.25 C ATOM 371 CG LYS A 26 -30.145 5.658 -25.570 1.00 4.01 C ATOM 372 CD LYS A 26 -30.564 4.283 -25.078 1.00 2.20 C ATOM 373 CE LYS A 26 -31.153 3.445 -26.202 1.00 23.13 C ATOM 374 NZ LYS A 26 -30.447 2.143 -26.352 1.00 71.23 N1+ ATOM 0 H LYS A 26 -26.336 6.629 -27.092 1.00 0.14 H new ATOM 0 HA LYS A 26 -28.193 7.130 -24.841 1.00 31.25 H new ATOM 0 HB2 LYS A 26 -28.890 5.994 -27.268 1.00 54.25 H new ATOM 0 HB3 LYS A 26 -28.460 4.580 -26.326 1.00 54.25 H new ATOM 0 HG2 LYS A 26 -30.111 6.351 -24.730 1.00 4.01 H new ATOM 0 HG3 LYS A 26 -30.891 6.039 -26.267 1.00 4.01 H new ATOM 0 HD2 LYS A 26 -29.702 3.769 -24.653 1.00 2.20 H new ATOM 0 HD3 LYS A 26 -31.298 4.389 -24.279 1.00 2.20 H new ATOM 0 HE2 LYS A 26 -32.210 3.264 -26.005 1.00 23.13 H new ATOM 0 HE3 LYS A 26 -31.094 4.000 -27.138 1.00 23.13 H new ATOM 0 HZ1 LYS A 26 -30.878 1.602 -27.128 1.00 71.23 H new ATOM 0 HZ2 LYS A 26 -29.444 2.315 -26.565 1.00 71.23 H new ATOM 0 HZ3 LYS A 26 -30.525 1.602 -25.467 1.00 71.23 H new ATOM 388 N LYS A 27 -25.560 5.880 -24.548 1.00 31.12 N ATOM 389 CA LYS A 27 -24.606 5.080 -23.789 1.00 64.33 C ATOM 390 C LYS A 27 -24.087 5.853 -22.581 1.00 22.41 C ATOM 391 O LYS A 27 -24.047 7.083 -22.592 1.00 25.10 O ATOM 392 CB LYS A 27 -23.436 4.662 -24.682 1.00 70.34 C ATOM 393 CG LYS A 27 -23.813 3.643 -25.743 1.00 23.44 C ATOM 394 CD LYS A 27 -22.587 2.942 -26.304 1.00 32.35 C ATOM 395 CE LYS A 27 -22.766 2.599 -27.775 1.00 54.14 C ATOM 396 NZ LYS A 27 -23.467 1.298 -27.961 1.00 40.14 N1+ ATOM 0 H LYS A 27 -25.175 6.743 -24.932 1.00 31.12 H new ATOM 0 HA LYS A 27 -25.120 4.187 -23.433 1.00 64.33 H new ATOM 0 HB2 LYS A 27 -23.028 5.547 -25.170 1.00 70.34 H new ATOM 0 HB3 LYS A 27 -22.644 4.248 -24.058 1.00 70.34 H new ATOM 0 HG2 LYS A 27 -24.491 2.905 -25.315 1.00 23.44 H new ATOM 0 HG3 LYS A 27 -24.351 4.139 -26.551 1.00 23.44 H new ATOM 0 HD2 LYS A 27 -21.713 3.582 -26.182 1.00 32.35 H new ATOM 0 HD3 LYS A 27 -22.396 2.031 -25.737 1.00 32.35 H new ATOM 0 HE2 LYS A 27 -23.333 3.390 -28.266 1.00 54.14 H new ATOM 0 HE3 LYS A 27 -21.790 2.558 -28.260 1.00 54.14 H new ATOM 0 HZ1 LYS A 27 -23.569 1.101 -28.977 1.00 40.14 H new ATOM 0 HZ2 LYS A 27 -22.914 0.539 -27.515 1.00 40.14 H new ATOM 0 HZ3 LYS A 27 -24.408 1.345 -27.521 1.00 40.14 H new ATOM 410 N GLN A 28 -23.690 5.123 -21.543 1.00 53.42 N ATOM 411 CA GLN A 28 -23.173 5.742 -20.329 1.00 63.10 C ATOM 412 C GLN A 28 -21.718 5.350 -20.096 1.00 64.31 C ATOM 413 O GLN A 28 -21.169 4.507 -20.806 1.00 32.43 O ATOM 414 CB GLN A 28 -24.022 5.336 -19.122 1.00 54.03 C ATOM 415 CG GLN A 28 -25.519 5.420 -19.376 1.00 75.45 C ATOM 416 CD GLN A 28 -26.175 4.055 -19.451 1.00 41.03 C ATOM 417 OE1 GLN A 28 -26.648 3.637 -20.508 1.00 71.13 O ATOM 418 NE2 GLN A 28 -26.207 3.352 -18.325 1.00 73.22 N ATOM 0 H GLN A 28 -23.717 4.104 -21.519 1.00 53.42 H new ATOM 0 HA GLN A 28 -23.224 6.824 -20.453 1.00 63.10 H new ATOM 0 HB2 GLN A 28 -23.767 4.316 -18.835 1.00 54.03 H new ATOM 0 HB3 GLN A 28 -23.768 5.977 -18.278 1.00 54.03 H new ATOM 0 HG2 GLN A 28 -25.987 6.001 -18.581 1.00 75.45 H new ATOM 0 HG3 GLN A 28 -25.696 5.956 -20.308 1.00 75.45 H new ATOM 0 HE21 GLN A 28 -25.803 3.737 -17.472 1.00 73.22 H new ATOM 0 HE22 GLN A 28 -26.636 2.427 -18.314 1.00 73.22 H new ATOM 427 N TYR A 29 -21.097 5.968 -19.097 1.00 21.11 N ATOM 428 CA TYR A 29 -19.704 5.685 -18.771 1.00 61.03 C ATOM 429 C TYR A 29 -19.596 4.500 -17.816 1.00 1.02 C ATOM 430 O TYR A 29 -20.493 4.253 -17.011 1.00 33.23 O ATOM 431 CB TYR A 29 -19.044 6.917 -18.150 1.00 25.14 C ATOM 432 CG TYR A 29 -18.250 7.742 -19.137 1.00 40.21 C ATOM 433 CD1 TYR A 29 -16.987 7.337 -19.553 1.00 13.54 C ATOM 434 CD2 TYR A 29 -18.761 8.927 -19.653 1.00 21.54 C ATOM 435 CE1 TYR A 29 -16.258 8.088 -20.455 1.00 42.41 C ATOM 436 CE2 TYR A 29 -18.039 9.683 -20.556 1.00 24.10 C ATOM 437 CZ TYR A 29 -16.788 9.259 -20.954 1.00 3.11 C ATOM 438 OH TYR A 29 -16.065 10.010 -21.851 1.00 55.21 O ATOM 0 H TYR A 29 -21.536 6.668 -18.499 1.00 21.11 H new ATOM 0 HA TYR A 29 -19.186 5.430 -19.696 1.00 61.03 H new ATOM 0 HB2 TYR A 29 -19.815 7.544 -17.702 1.00 25.14 H new ATOM 0 HB3 TYR A 29 -18.384 6.597 -17.343 1.00 25.14 H new ATOM 0 HD1 TYR A 29 -16.569 6.420 -19.165 1.00 13.54 H new ATOM 0 HD2 TYR A 29 -19.739 9.263 -19.343 1.00 21.54 H new ATOM 0 HE1 TYR A 29 -15.278 7.759 -20.768 1.00 42.41 H new ATOM 0 HE2 TYR A 29 -18.452 10.601 -20.948 1.00 24.10 H new ATOM 0 HH TYR A 29 -16.606 10.769 -22.153 1.00 55.21 H new ATOM 448 N LYS A 30 -18.491 3.770 -17.912 1.00 53.33 N ATOM 449 CA LYS A 30 -18.262 2.611 -17.057 1.00 2.54 C ATOM 450 C LYS A 30 -16.777 2.446 -16.751 1.00 24.15 C ATOM 451 O LYS A 30 -15.925 3.027 -17.424 1.00 72.43 O ATOM 452 CB LYS A 30 -18.800 1.344 -17.726 1.00 63.25 C ATOM 453 CG LYS A 30 -19.664 0.494 -16.811 1.00 34.10 C ATOM 454 CD LYS A 30 -18.982 -0.817 -16.458 1.00 14.31 C ATOM 455 CE LYS A 30 -19.987 -1.860 -15.992 1.00 45.34 C ATOM 456 NZ LYS A 30 -19.340 -2.931 -15.185 1.00 3.53 N1+ ATOM 0 H LYS A 30 -17.739 3.960 -18.574 1.00 53.33 H new ATOM 0 HA LYS A 30 -18.793 2.772 -16.119 1.00 2.54 H new ATOM 0 HB2 LYS A 30 -19.382 1.626 -18.603 1.00 63.25 H new ATOM 0 HB3 LYS A 30 -17.961 0.745 -18.079 1.00 63.25 H new ATOM 0 HG2 LYS A 30 -19.883 1.048 -15.898 1.00 34.10 H new ATOM 0 HG3 LYS A 30 -20.618 0.289 -17.297 1.00 34.10 H new ATOM 0 HD2 LYS A 30 -18.442 -1.193 -17.327 1.00 14.31 H new ATOM 0 HD3 LYS A 30 -18.244 -0.645 -15.674 1.00 14.31 H new ATOM 0 HE2 LYS A 30 -20.763 -1.377 -15.399 1.00 45.34 H new ATOM 0 HE3 LYS A 30 -20.478 -2.304 -16.858 1.00 45.34 H new ATOM 0 HZ1 LYS A 30 -20.058 -3.622 -14.886 1.00 3.53 H new ATOM 0 HZ2 LYS A 30 -18.617 -3.409 -15.759 1.00 3.53 H new ATOM 0 HZ3 LYS A 30 -18.893 -2.511 -14.345 1.00 3.53 H new ATOM 470 N LEU A 31 -16.472 1.651 -15.731 1.00 15.44 N ATOM 471 CA LEU A 31 -15.089 1.408 -15.336 1.00 33.33 C ATOM 472 C LEU A 31 -14.252 0.964 -16.531 1.00 33.44 C ATOM 473 O LEU A 31 -13.050 1.223 -16.590 1.00 71.54 O ATOM 474 CB LEU A 31 -15.032 0.347 -14.236 1.00 2.31 C ATOM 475 CG LEU A 31 -15.555 0.774 -12.863 1.00 70.03 C ATOM 476 CD1 LEU A 31 -15.960 -0.442 -12.044 1.00 71.44 C ATOM 477 CD2 LEU A 31 -14.506 1.592 -12.124 1.00 22.12 C ATOM 0 H LEU A 31 -17.164 1.164 -15.162 1.00 15.44 H new ATOM 0 HA LEU A 31 -14.676 2.341 -14.954 1.00 33.33 H new ATOM 0 HB2 LEU A 31 -15.603 -0.521 -14.566 1.00 2.31 H new ATOM 0 HB3 LEU A 31 -13.997 0.024 -14.124 1.00 2.31 H new ATOM 0 HG LEU A 31 -16.437 1.398 -13.009 1.00 70.03 H new ATOM 0 HD11 LEU A 31 -16.329 -0.119 -11.071 1.00 71.44 H new ATOM 0 HD12 LEU A 31 -16.745 -0.988 -12.567 1.00 71.44 H new ATOM 0 HD13 LEU A 31 -15.096 -1.092 -11.906 1.00 71.44 H new ATOM 0 HD21 LEU A 31 -14.895 1.887 -11.150 1.00 22.12 H new ATOM 0 HD22 LEU A 31 -13.606 0.992 -11.989 1.00 22.12 H new ATOM 0 HD23 LEU A 31 -14.265 2.483 -12.704 1.00 22.12 H new ATOM 489 N LYS A 32 -14.895 0.296 -17.482 1.00 22.53 N ATOM 490 CA LYS A 32 -14.212 -0.181 -18.678 1.00 21.42 C ATOM 491 C LYS A 32 -13.437 0.948 -19.349 1.00 0.22 C ATOM 492 O LYS A 32 -12.400 0.717 -19.973 1.00 41.22 O ATOM 493 CB LYS A 32 -15.220 -0.777 -19.663 1.00 23.33 C ATOM 494 CG LYS A 32 -15.156 -2.293 -19.757 1.00 2.54 C ATOM 495 CD LYS A 32 -16.389 -2.861 -20.440 1.00 3.22 C ATOM 496 CE LYS A 32 -16.076 -4.167 -21.155 1.00 11.32 C ATOM 497 NZ LYS A 32 -17.046 -5.240 -20.798 1.00 52.31 N1+ ATOM 0 H LYS A 32 -15.890 0.072 -17.448 1.00 22.53 H new ATOM 0 HA LYS A 32 -13.506 -0.955 -18.378 1.00 21.42 H new ATOM 0 HB2 LYS A 32 -16.226 -0.482 -19.364 1.00 23.33 H new ATOM 0 HB3 LYS A 32 -15.044 -0.352 -20.651 1.00 23.33 H new ATOM 0 HG2 LYS A 32 -14.264 -2.587 -20.311 1.00 2.54 H new ATOM 0 HG3 LYS A 32 -15.065 -2.717 -18.757 1.00 2.54 H new ATOM 0 HD2 LYS A 32 -17.172 -3.028 -19.700 1.00 3.22 H new ATOM 0 HD3 LYS A 32 -16.776 -2.136 -21.156 1.00 3.22 H new ATOM 0 HE2 LYS A 32 -16.094 -4.005 -22.233 1.00 11.32 H new ATOM 0 HE3 LYS A 32 -15.067 -4.489 -20.898 1.00 11.32 H new ATOM 0 HZ1 LYS A 32 -16.799 -6.114 -21.305 1.00 52.31 H new ATOM 0 HZ2 LYS A 32 -17.011 -5.413 -19.773 1.00 52.31 H new ATOM 0 HZ3 LYS A 32 -18.006 -4.943 -21.066 1.00 52.31 H new ATOM 511 N HIS A 33 -13.945 2.169 -19.216 1.00 64.43 N ATOM 512 CA HIS A 33 -13.299 3.336 -19.808 1.00 63.24 C ATOM 513 C HIS A 33 -12.192 3.862 -18.899 1.00 65.41 C ATOM 514 O HIS A 33 -11.202 4.353 -19.441 1.00 41.33 O ATOM 515 CB HIS A 33 -14.326 4.437 -20.069 1.00 14.43 C ATOM 516 CG HIS A 33 -15.561 3.952 -20.766 1.00 44.15 C ATOM 517 ND1 HIS A 33 -16.835 4.215 -20.311 1.00 11.21 N ATOM 518 CD2 HIS A 33 -15.710 3.216 -21.893 1.00 44.31 C ATOM 519 CE1 HIS A 33 -17.715 3.661 -21.127 1.00 25.01 C ATOM 520 NE2 HIS A 33 -17.057 3.049 -22.095 1.00 3.21 N ATOM 0 H HIS A 33 -14.802 2.376 -18.704 1.00 64.43 H new ATOM 0 HA HIS A 33 -12.855 3.033 -20.756 1.00 63.24 H new ATOM 0 HB2 HIS A 33 -14.609 4.891 -19.119 1.00 14.43 H new ATOM 0 HB3 HIS A 33 -13.863 5.219 -20.670 1.00 14.43 H new ATOM 0 HD2 HIS A 33 -14.916 2.832 -22.517 1.00 44.31 H new ATOM 0 HE1 HIS A 33 -18.789 3.702 -21.020 1.00 25.01 H new ATOM 0 HE2 HIS A 33 -17.481 2.535 -22.867 1.00 3.21 H new ATOM 528 N ILE A 34 -12.327 3.775 -17.579 1.00 54.23 N ATOM 529 CA ILE A 34 -11.297 4.263 -16.673 1.00 42.54 C ATOM 530 C ILE A 34 -10.063 3.369 -16.710 1.00 63.15 C ATOM 531 O ILE A 34 -8.930 3.850 -16.654 1.00 13.14 O ATOM 532 CB ILE A 34 -11.813 4.345 -15.224 1.00 55.23 C ATOM 533 CG1 ILE A 34 -13.126 5.130 -15.172 1.00 23.14 C ATOM 534 CG2 ILE A 34 -10.769 4.989 -14.324 1.00 73.20 C ATOM 535 CD1 ILE A 34 -13.776 5.130 -13.806 1.00 25.33 C ATOM 0 H ILE A 34 -13.140 3.371 -17.115 1.00 54.23 H new ATOM 0 HA ILE A 34 -11.029 5.264 -17.012 1.00 42.54 H new ATOM 0 HB ILE A 34 -12.000 3.334 -14.863 1.00 55.23 H new ATOM 0 HG12 ILE A 34 -12.937 6.160 -15.475 1.00 23.14 H new ATOM 0 HG13 ILE A 34 -13.822 4.707 -15.897 1.00 23.14 H new ATOM 0 HG21 ILE A 34 -11.149 5.039 -13.304 1.00 73.20 H new ATOM 0 HG22 ILE A 34 -9.856 4.394 -14.342 1.00 73.20 H new ATOM 0 HG23 ILE A 34 -10.553 5.996 -14.681 1.00 73.20 H new ATOM 0 HD11 ILE A 34 -14.701 5.705 -13.843 1.00 25.33 H new ATOM 0 HD12 ILE A 34 -13.997 4.105 -13.508 1.00 25.33 H new ATOM 0 HD13 ILE A 34 -13.098 5.580 -13.081 1.00 25.33 H new ATOM 547 N VAL A 35 -10.288 2.062 -16.809 1.00 5.11 N ATOM 548 CA VAL A 35 -9.195 1.099 -16.857 1.00 40.11 C ATOM 549 C VAL A 35 -8.506 1.117 -18.217 1.00 10.41 C ATOM 550 O VAL A 35 -7.286 0.989 -18.308 1.00 62.50 O ATOM 551 CB VAL A 35 -9.691 -0.329 -16.564 1.00 32.25 C ATOM 552 CG1 VAL A 35 -8.542 -1.321 -16.645 1.00 65.40 C ATOM 553 CG2 VAL A 35 -10.364 -0.390 -15.201 1.00 53.13 C ATOM 0 H VAL A 35 -11.218 1.646 -16.857 1.00 5.11 H new ATOM 0 HA VAL A 35 -8.481 1.392 -16.087 1.00 40.11 H new ATOM 0 HB VAL A 35 -10.428 -0.601 -17.320 1.00 32.25 H new ATOM 0 HG11 VAL A 35 -8.912 -2.324 -16.435 1.00 65.40 H new ATOM 0 HG12 VAL A 35 -8.109 -1.296 -17.645 1.00 65.40 H new ATOM 0 HG13 VAL A 35 -7.779 -1.055 -15.913 1.00 65.40 H new ATOM 0 HG21 VAL A 35 -10.708 -1.406 -15.010 1.00 53.13 H new ATOM 0 HG22 VAL A 35 -9.651 -0.098 -14.430 1.00 53.13 H new ATOM 0 HG23 VAL A 35 -11.215 0.291 -15.185 1.00 53.13 H new ATOM 563 N TRP A 36 -9.297 1.278 -19.272 1.00 43.30 N ATOM 564 CA TRP A 36 -8.764 1.313 -20.629 1.00 44.30 C ATOM 565 C TRP A 36 -7.790 2.474 -20.801 1.00 24.21 C ATOM 566 O TRP A 36 -6.626 2.274 -21.146 1.00 35.31 O ATOM 567 CB TRP A 36 -9.902 1.432 -21.643 1.00 41.14 C ATOM 568 CG TRP A 36 -9.425 1.642 -23.049 1.00 35.32 C ATOM 569 CD1 TRP A 36 -9.030 0.678 -23.932 1.00 41.30 C ATOM 570 CD2 TRP A 36 -9.291 2.893 -23.731 1.00 15.33 C ATOM 571 NE1 TRP A 36 -8.660 1.255 -25.123 1.00 65.32 N ATOM 572 CE2 TRP A 36 -8.812 2.613 -25.026 1.00 4.30 C ATOM 573 CE3 TRP A 36 -9.534 4.223 -23.376 1.00 25.13 C ATOM 574 CZ2 TRP A 36 -8.568 3.614 -25.962 1.00 62.33 C ATOM 575 CZ3 TRP A 36 -9.291 5.215 -24.306 1.00 14.12 C ATOM 576 CH2 TRP A 36 -8.814 4.907 -25.587 1.00 45.01 C ATOM 0 H TRP A 36 -10.310 1.386 -19.214 1.00 43.30 H new ATOM 0 HA TRP A 36 -8.226 0.382 -20.806 1.00 44.30 H new ATOM 0 HB2 TRP A 36 -10.510 0.528 -21.604 1.00 41.14 H new ATOM 0 HB3 TRP A 36 -10.548 2.263 -21.358 1.00 41.14 H new ATOM 0 HD1 TRP A 36 -9.011 -0.382 -23.725 1.00 41.30 H new ATOM 0 HE1 TRP A 36 -8.326 0.753 -25.946 1.00 65.32 H new ATOM 0 HE3 TRP A 36 -9.905 4.470 -22.392 1.00 25.13 H new ATOM 0 HZ2 TRP A 36 -8.198 3.379 -26.949 1.00 62.33 H new ATOM 0 HZ3 TRP A 36 -9.472 6.246 -24.041 1.00 14.12 H new ATOM 0 HH2 TRP A 36 -8.637 5.706 -26.292 1.00 45.01 H new ATOM 587 N ALA A 37 -8.273 3.688 -20.556 1.00 13.21 N ATOM 588 CA ALA A 37 -7.444 4.880 -20.681 1.00 53.23 C ATOM 589 C ALA A 37 -6.207 4.784 -19.793 1.00 14.51 C ATOM 590 O ALA A 37 -5.170 5.377 -20.092 1.00 11.45 O ATOM 591 CB ALA A 37 -8.251 6.123 -20.336 1.00 44.13 C ATOM 0 H ALA A 37 -9.235 3.871 -20.270 1.00 13.21 H new ATOM 0 HA ALA A 37 -7.110 4.954 -21.716 1.00 53.23 H new ATOM 0 HB1 ALA A 37 -7.619 7.006 -20.434 1.00 44.13 H new ATOM 0 HB2 ALA A 37 -9.099 6.207 -21.016 1.00 44.13 H new ATOM 0 HB3 ALA A 37 -8.614 6.048 -19.311 1.00 44.13 H new ATOM 597 N SER A 38 -6.325 4.037 -18.701 1.00 73.51 N ATOM 598 CA SER A 38 -5.219 3.868 -17.768 1.00 64.21 C ATOM 599 C SER A 38 -4.052 3.145 -18.433 1.00 25.42 C ATOM 600 O SER A 38 -2.911 3.606 -18.383 1.00 14.54 O ATOM 601 CB SER A 38 -5.679 3.089 -16.533 1.00 45.54 C ATOM 602 OG SER A 38 -5.786 3.941 -15.405 1.00 35.24 O ATOM 0 H SER A 38 -7.176 3.539 -18.441 1.00 73.51 H new ATOM 0 HA SER A 38 -4.883 4.858 -17.460 1.00 64.21 H new ATOM 0 HB2 SER A 38 -6.643 2.621 -16.732 1.00 45.54 H new ATOM 0 HB3 SER A 38 -4.973 2.286 -16.321 1.00 45.54 H new ATOM 0 HG SER A 38 -6.083 3.421 -14.629 1.00 35.24 H new ATOM 608 N ARG A 39 -4.346 2.008 -19.055 1.00 75.41 N ATOM 609 CA ARG A 39 -3.322 1.219 -19.730 1.00 33.33 C ATOM 610 C ARG A 39 -2.783 1.958 -20.950 1.00 53.14 C ATOM 611 O ARG A 39 -1.643 1.744 -21.364 1.00 35.42 O ATOM 612 CB ARG A 39 -3.889 -0.138 -20.151 1.00 55.24 C ATOM 613 CG ARG A 39 -3.646 -1.242 -19.136 1.00 21.12 C ATOM 614 CD ARG A 39 -2.198 -1.707 -19.155 1.00 2.02 C ATOM 615 NE ARG A 39 -1.831 -2.404 -17.924 1.00 14.01 N ATOM 616 CZ ARG A 39 -0.631 -2.930 -17.708 1.00 23.30 C ATOM 617 NH1 ARG A 39 0.314 -2.838 -18.634 1.00 35.10 N1+ ATOM 618 NH2 ARG A 39 -0.373 -3.549 -16.563 1.00 31.33 N ATOM 0 H ARG A 39 -5.285 1.612 -19.106 1.00 75.41 H new ATOM 0 HA ARG A 39 -2.501 1.061 -19.031 1.00 33.33 H new ATOM 0 HB2 ARG A 39 -4.962 -0.038 -20.317 1.00 55.24 H new ATOM 0 HB3 ARG A 39 -3.445 -0.428 -21.103 1.00 55.24 H new ATOM 0 HG2 ARG A 39 -3.901 -0.884 -18.139 1.00 21.12 H new ATOM 0 HG3 ARG A 39 -4.303 -2.085 -19.349 1.00 21.12 H new ATOM 0 HD2 ARG A 39 -2.041 -2.369 -20.007 1.00 2.02 H new ATOM 0 HD3 ARG A 39 -1.543 -0.847 -19.294 1.00 2.02 H new ATOM 0 HE ARG A 39 -2.535 -2.491 -17.191 1.00 14.01 H new ATOM 0 HH11 ARG A 39 0.120 -2.362 -19.515 1.00 35.10 H new ATOM 0 HH12 ARG A 39 1.235 -3.243 -18.465 1.00 35.10 H new ATOM 0 HH21 ARG A 39 -1.097 -3.621 -15.848 1.00 31.33 H new ATOM 0 HH22 ARG A 39 0.549 -3.953 -16.398 1.00 31.33 H new ATOM 632 N GLU A 40 -3.608 2.829 -21.522 1.00 15.43 N ATOM 633 CA GLU A 40 -3.214 3.599 -22.695 1.00 73.32 C ATOM 634 C GLU A 40 -2.380 4.812 -22.296 1.00 4.13 C ATOM 635 O GLU A 40 -1.571 5.309 -23.080 1.00 24.05 O ATOM 636 CB GLU A 40 -4.450 4.051 -23.475 1.00 74.20 C ATOM 637 CG GLU A 40 -4.535 3.465 -24.875 1.00 31.35 C ATOM 638 CD GLU A 40 -3.546 4.098 -25.834 1.00 13.22 C ATOM 639 OE1 GLU A 40 -2.395 4.349 -25.418 1.00 1.01 O ATOM 640 OE2 GLU A 40 -3.922 4.344 -26.999 1.00 32.11 O1- ATOM 0 H GLU A 40 -4.554 3.019 -21.192 1.00 15.43 H new ATOM 0 HA GLU A 40 -2.606 2.956 -23.331 1.00 73.32 H new ATOM 0 HB2 GLU A 40 -5.344 3.770 -22.918 1.00 74.20 H new ATOM 0 HB3 GLU A 40 -4.447 5.139 -23.545 1.00 74.20 H new ATOM 0 HG2 GLU A 40 -4.352 2.391 -24.827 1.00 31.35 H new ATOM 0 HG3 GLU A 40 -5.546 3.600 -25.260 1.00 31.35 H new ATOM 647 N LEU A 41 -2.582 5.284 -21.070 1.00 40.11 N ATOM 648 CA LEU A 41 -1.850 6.439 -20.565 1.00 4.14 C ATOM 649 C LEU A 41 -0.374 6.105 -20.366 1.00 13.34 C ATOM 650 O LEU A 41 0.503 6.820 -20.847 1.00 44.14 O ATOM 651 CB LEU A 41 -2.458 6.916 -19.245 1.00 22.11 C ATOM 652 CG LEU A 41 -3.432 8.091 -19.339 1.00 52.24 C ATOM 653 CD1 LEU A 41 -3.992 8.432 -17.968 1.00 3.24 C ATOM 654 CD2 LEU A 41 -2.747 9.303 -19.955 1.00 51.24 C ATOM 0 H LEU A 41 -3.247 4.884 -20.408 1.00 40.11 H new ATOM 0 HA LEU A 41 -1.927 7.237 -21.303 1.00 4.14 H new ATOM 0 HB2 LEU A 41 -2.977 6.076 -18.783 1.00 22.11 H new ATOM 0 HB3 LEU A 41 -1.646 7.196 -18.575 1.00 22.11 H new ATOM 0 HG LEU A 41 -4.261 7.800 -19.984 1.00 52.24 H new ATOM 0 HD11 LEU A 41 -4.683 9.270 -18.055 1.00 3.24 H new ATOM 0 HD12 LEU A 41 -4.520 7.567 -17.565 1.00 3.24 H new ATOM 0 HD13 LEU A 41 -3.176 8.703 -17.299 1.00 3.24 H new ATOM 0 HD21 LEU A 41 -3.455 10.130 -20.014 1.00 51.24 H new ATOM 0 HD22 LEU A 41 -1.899 9.595 -19.336 1.00 51.24 H new ATOM 0 HD23 LEU A 41 -2.396 9.053 -20.956 1.00 51.24 H new ATOM 666 N GLU A 42 -0.111 5.012 -19.657 1.00 61.40 N ATOM 667 CA GLU A 42 1.257 4.583 -19.397 1.00 65.35 C ATOM 668 C GLU A 42 2.032 4.413 -20.702 1.00 4.01 C ATOM 669 O GLU A 42 3.257 4.530 -20.727 1.00 74.32 O ATOM 670 CB GLU A 42 1.264 3.268 -18.614 1.00 10.41 C ATOM 671 CG GLU A 42 1.937 3.372 -17.256 1.00 30.41 C ATOM 672 CD GLU A 42 3.365 2.860 -17.272 1.00 31.32 C ATOM 673 OE1 GLU A 42 3.562 1.658 -17.546 1.00 73.30 O1- ATOM 674 OE2 GLU A 42 4.285 3.664 -17.011 1.00 60.55 O ATOM 0 H GLU A 42 -0.827 4.408 -19.253 1.00 61.40 H new ATOM 0 HA GLU A 42 1.744 5.355 -18.802 1.00 65.35 H new ATOM 0 HB2 GLU A 42 0.236 2.932 -18.476 1.00 10.41 H new ATOM 0 HB3 GLU A 42 1.772 2.506 -19.205 1.00 10.41 H new ATOM 0 HG2 GLU A 42 1.932 4.412 -16.931 1.00 30.41 H new ATOM 0 HG3 GLU A 42 1.360 2.806 -16.524 1.00 30.41 H new ATOM 681 N ARG A 43 1.307 4.138 -21.781 1.00 63.10 N ATOM 682 CA ARG A 43 1.925 3.951 -23.088 1.00 40.01 C ATOM 683 C ARG A 43 2.441 5.277 -23.640 1.00 61.31 C ATOM 684 O ARG A 43 3.387 5.308 -24.428 1.00 24.10 O ATOM 685 CB ARG A 43 0.923 3.334 -24.065 1.00 61.34 C ATOM 686 CG ARG A 43 1.508 3.053 -25.440 1.00 73.14 C ATOM 687 CD ARG A 43 0.773 1.918 -26.137 1.00 1.23 C ATOM 688 NE ARG A 43 1.186 1.773 -27.531 1.00 2.05 N ATOM 689 CZ ARG A 43 0.567 0.983 -28.401 1.00 50.23 C ATOM 690 NH1 ARG A 43 -0.486 0.273 -28.024 1.00 14.22 N1+ ATOM 691 NH2 ARG A 43 1.003 0.904 -29.652 1.00 14.24 N ATOM 0 H ARG A 43 0.292 4.040 -21.776 1.00 63.10 H new ATOM 0 HA ARG A 43 2.771 3.273 -22.969 1.00 40.01 H new ATOM 0 HB2 ARG A 43 0.543 2.403 -23.644 1.00 61.34 H new ATOM 0 HB3 ARG A 43 0.072 4.006 -24.172 1.00 61.34 H new ATOM 0 HG2 ARG A 43 1.452 3.954 -26.051 1.00 73.14 H new ATOM 0 HG3 ARG A 43 2.563 2.799 -25.343 1.00 73.14 H new ATOM 0 HD2 ARG A 43 0.959 0.985 -25.605 1.00 1.23 H new ATOM 0 HD3 ARG A 43 -0.301 2.101 -26.094 1.00 1.23 H new ATOM 0 HE ARG A 43 1.993 2.307 -27.853 1.00 2.05 H new ATOM 0 HH11 ARG A 43 -0.824 0.332 -27.063 1.00 14.22 H new ATOM 0 HH12 ARG A 43 -0.959 -0.333 -28.694 1.00 14.22 H new ATOM 0 HH21 ARG A 43 1.813 1.450 -29.945 1.00 14.24 H new ATOM 0 HH22 ARG A 43 0.528 0.297 -30.320 1.00 14.24 H new ATOM 705 N PHE A 44 1.812 6.370 -23.223 1.00 10.12 N ATOM 706 CA PHE A 44 2.206 7.699 -23.677 1.00 34.13 C ATOM 707 C PHE A 44 3.147 8.360 -22.675 1.00 20.15 C ATOM 708 O PHE A 44 3.195 9.584 -22.564 1.00 14.54 O ATOM 709 CB PHE A 44 0.969 8.577 -23.887 1.00 70.01 C ATOM 710 CG PHE A 44 0.098 8.122 -25.023 1.00 72.21 C ATOM 711 CD1 PHE A 44 0.560 8.168 -26.329 1.00 13.22 C ATOM 712 CD2 PHE A 44 -1.182 7.649 -24.784 1.00 74.33 C ATOM 713 CE1 PHE A 44 -0.241 7.751 -27.375 1.00 72.13 C ATOM 714 CE2 PHE A 44 -1.987 7.230 -25.828 1.00 4.20 C ATOM 715 CZ PHE A 44 -1.515 7.281 -27.125 1.00 61.41 C ATOM 0 H PHE A 44 1.027 6.362 -22.571 1.00 10.12 H new ATOM 0 HA PHE A 44 2.732 7.590 -24.625 1.00 34.13 H new ATOM 0 HB2 PHE A 44 0.380 8.587 -22.970 1.00 70.01 H new ATOM 0 HB3 PHE A 44 1.288 9.603 -24.072 1.00 70.01 H new ATOM 0 HD1 PHE A 44 1.556 8.533 -26.531 1.00 13.22 H new ATOM 0 HD2 PHE A 44 -1.555 7.607 -23.771 1.00 74.33 H new ATOM 0 HE1 PHE A 44 0.130 7.793 -28.389 1.00 72.13 H new ATOM 0 HE2 PHE A 44 -2.983 6.863 -25.629 1.00 4.20 H new ATOM 0 HZ PHE A 44 -2.141 6.954 -27.942 1.00 61.41 H new ATOM 725 N ALA A 45 3.895 7.538 -21.945 1.00 43.42 N ATOM 726 CA ALA A 45 4.837 8.042 -20.952 1.00 21.50 C ATOM 727 C ALA A 45 4.111 8.774 -19.829 1.00 13.24 C ATOM 728 O ALA A 45 4.707 9.580 -19.113 1.00 33.43 O ATOM 729 CB ALA A 45 5.857 8.959 -21.610 1.00 12.41 C ATOM 0 H ALA A 45 3.867 6.521 -22.022 1.00 43.42 H new ATOM 0 HA ALA A 45 5.359 7.190 -20.517 1.00 21.50 H new ATOM 0 HB1 ALA A 45 6.554 9.328 -20.857 1.00 12.41 H new ATOM 0 HB2 ALA A 45 6.406 8.405 -22.372 1.00 12.41 H new ATOM 0 HB3 ALA A 45 5.343 9.802 -22.073 1.00 12.41 H new ATOM 735 N VAL A 46 2.822 8.489 -19.679 1.00 35.21 N ATOM 736 CA VAL A 46 2.014 9.120 -18.642 1.00 50.25 C ATOM 737 C VAL A 46 1.473 8.087 -17.660 1.00 60.22 C ATOM 738 O VAL A 46 0.669 7.230 -18.026 1.00 64.31 O ATOM 739 CB VAL A 46 0.834 9.903 -19.248 1.00 1.40 C ATOM 740 CG1 VAL A 46 -0.019 10.518 -18.149 1.00 54.32 C ATOM 741 CG2 VAL A 46 1.340 10.973 -20.204 1.00 32.13 C ATOM 0 H VAL A 46 2.314 7.825 -20.263 1.00 35.21 H new ATOM 0 HA VAL A 46 2.667 9.813 -18.112 1.00 50.25 H new ATOM 0 HB VAL A 46 0.211 9.209 -19.813 1.00 1.40 H new ATOM 0 HG11 VAL A 46 -0.848 11.067 -18.596 1.00 54.32 H new ATOM 0 HG12 VAL A 46 -0.411 9.728 -17.508 1.00 54.32 H new ATOM 0 HG13 VAL A 46 0.589 11.200 -17.555 1.00 54.32 H new ATOM 0 HG21 VAL A 46 0.493 11.516 -20.623 1.00 32.13 H new ATOM 0 HG22 VAL A 46 1.986 11.667 -19.665 1.00 32.13 H new ATOM 0 HG23 VAL A 46 1.904 10.504 -21.010 1.00 32.13 H new ATOM 751 N ASN A 47 1.920 8.173 -16.412 1.00 42.11 N ATOM 752 CA ASN A 47 1.482 7.245 -15.376 1.00 75.42 C ATOM 753 C ASN A 47 -0.017 7.380 -15.123 1.00 42.42 C ATOM 754 O ASN A 47 -0.586 8.470 -15.188 1.00 51.52 O ATOM 755 CB ASN A 47 2.254 7.493 -14.080 1.00 65.21 C ATOM 756 CG ASN A 47 3.547 6.702 -14.016 1.00 30.12 C ATOM 757 OD1 ASN A 47 4.556 7.093 -14.601 1.00 52.14 O ATOM 758 ND2 ASN A 47 3.521 5.582 -13.302 1.00 34.24 N ATOM 0 H ASN A 47 2.586 8.877 -16.093 1.00 42.11 H new ATOM 0 HA ASN A 47 1.684 6.231 -15.722 1.00 75.42 H new ATOM 0 HB2 ASN A 47 2.477 8.556 -13.991 1.00 65.21 H new ATOM 0 HB3 ASN A 47 1.626 7.227 -13.230 1.00 65.21 H new ATOM 0 HD21 ASN A 47 4.361 5.008 -13.223 1.00 34.24 H new ATOM 0 HD22 ASN A 47 2.661 5.296 -12.833 1.00 34.24 H new ATOM 765 N PRO A 48 -0.672 6.248 -14.827 1.00 3.23 N ATOM 766 CA PRO A 48 -2.112 6.215 -14.557 1.00 23.01 C ATOM 767 C PRO A 48 -2.469 6.884 -13.234 1.00 22.24 C ATOM 768 O PRO A 48 -3.642 7.104 -12.935 1.00 31.15 O ATOM 769 CB PRO A 48 -2.428 4.718 -14.502 1.00 20.23 C ATOM 770 CG PRO A 48 -1.141 4.074 -14.117 1.00 25.52 C ATOM 771 CD PRO A 48 -0.056 4.914 -14.732 1.00 34.33 C ATOM 0 HA PRO A 48 -2.681 6.757 -15.312 1.00 23.01 H new ATOM 0 HB2 PRO A 48 -3.211 4.505 -13.774 1.00 20.23 H new ATOM 0 HB3 PRO A 48 -2.781 4.352 -15.466 1.00 20.23 H new ATOM 0 HG2 PRO A 48 -1.035 4.032 -13.033 1.00 25.52 H new ATOM 0 HG3 PRO A 48 -1.094 3.048 -14.482 1.00 25.52 H new ATOM 0 HD2 PRO A 48 0.841 4.928 -14.113 1.00 34.33 H new ATOM 0 HD3 PRO A 48 0.239 4.536 -15.711 1.00 34.33 H new ATOM 779 N GLY A 49 -1.449 7.206 -12.444 1.00 20.32 N ATOM 780 CA GLY A 49 -1.678 7.847 -11.162 1.00 45.12 C ATOM 781 C GLY A 49 -2.230 9.251 -11.306 1.00 52.44 C ATOM 782 O GLY A 49 -2.762 9.819 -10.351 1.00 21.44 O ATOM 0 H GLY A 49 -0.469 7.035 -12.669 1.00 20.32 H new ATOM 0 HA2 GLY A 49 -2.373 7.245 -10.577 1.00 45.12 H new ATOM 0 HA3 GLY A 49 -0.742 7.883 -10.605 1.00 45.12 H new ATOM 786 N LEU A 50 -2.103 9.816 -12.502 1.00 71.54 N ATOM 787 CA LEU A 50 -2.592 11.163 -12.768 1.00 43.51 C ATOM 788 C LEU A 50 -4.109 11.171 -12.920 1.00 14.53 C ATOM 789 O LEU A 50 -4.761 12.194 -12.699 1.00 42.03 O ATOM 790 CB LEU A 50 -1.938 11.724 -14.033 1.00 34.14 C ATOM 791 CG LEU A 50 -0.416 11.604 -14.111 1.00 54.02 C ATOM 792 CD1 LEU A 50 0.098 12.184 -15.420 1.00 71.31 C ATOM 793 CD2 LEU A 50 0.236 12.299 -12.926 1.00 2.31 C ATOM 0 H LEU A 50 -1.665 9.361 -13.303 1.00 71.54 H new ATOM 0 HA LEU A 50 -2.327 11.793 -11.919 1.00 43.51 H new ATOM 0 HB2 LEU A 50 -2.367 11.215 -14.896 1.00 34.14 H new ATOM 0 HB3 LEU A 50 -2.204 12.777 -14.119 1.00 34.14 H new ATOM 0 HG LEU A 50 -0.152 10.547 -14.076 1.00 54.02 H new ATOM 0 HD11 LEU A 50 1.183 12.090 -15.458 1.00 71.31 H new ATOM 0 HD12 LEU A 50 -0.343 11.642 -16.256 1.00 71.31 H new ATOM 0 HD13 LEU A 50 -0.178 13.237 -15.485 1.00 71.31 H new ATOM 0 HD21 LEU A 50 1.319 12.203 -12.999 1.00 2.31 H new ATOM 0 HD22 LEU A 50 -0.036 13.355 -12.929 1.00 2.31 H new ATOM 0 HD23 LEU A 50 -0.108 11.838 -12.000 1.00 2.31 H new ATOM 805 N LEU A 51 -4.667 10.026 -13.296 1.00 34.02 N ATOM 806 CA LEU A 51 -6.110 9.900 -13.475 1.00 3.03 C ATOM 807 C LEU A 51 -6.844 10.121 -12.155 1.00 71.13 C ATOM 808 O LEU A 51 -8.010 10.511 -12.142 1.00 34.41 O ATOM 809 CB LEU A 51 -6.456 8.521 -14.039 1.00 65.30 C ATOM 810 CG LEU A 51 -6.000 8.249 -15.473 1.00 65.21 C ATOM 811 CD1 LEU A 51 -6.260 6.800 -15.850 1.00 65.53 C ATOM 812 CD2 LEU A 51 -6.701 9.189 -16.443 1.00 33.40 C ATOM 0 H LEU A 51 -4.143 9.171 -13.483 1.00 34.02 H new ATOM 0 HA LEU A 51 -6.432 10.665 -14.181 1.00 3.03 H new ATOM 0 HB2 LEU A 51 -6.016 7.764 -13.389 1.00 65.30 H new ATOM 0 HB3 LEU A 51 -7.537 8.392 -13.992 1.00 65.30 H new ATOM 0 HG LEU A 51 -4.927 8.431 -15.533 1.00 65.21 H new ATOM 0 HD11 LEU A 51 -5.929 6.625 -16.874 1.00 65.53 H new ATOM 0 HD12 LEU A 51 -5.711 6.144 -15.174 1.00 65.53 H new ATOM 0 HD13 LEU A 51 -7.327 6.590 -15.773 1.00 65.53 H new ATOM 0 HD21 LEU A 51 -6.364 8.981 -17.459 1.00 33.40 H new ATOM 0 HD22 LEU A 51 -7.779 9.039 -16.380 1.00 33.40 H new ATOM 0 HD23 LEU A 51 -6.463 10.221 -16.186 1.00 33.40 H new ATOM 824 N GLU A 52 -6.151 9.870 -11.049 1.00 43.45 N ATOM 825 CA GLU A 52 -6.736 10.044 -9.725 1.00 74.23 C ATOM 826 C GLU A 52 -6.332 11.386 -9.122 1.00 54.30 C ATOM 827 O GLU A 52 -6.328 11.556 -7.903 1.00 41.22 O ATOM 828 CB GLU A 52 -6.305 8.905 -8.799 1.00 62.32 C ATOM 829 CG GLU A 52 -4.809 8.874 -8.530 1.00 31.32 C ATOM 830 CD GLU A 52 -4.483 8.503 -7.096 1.00 54.40 C ATOM 831 OE1 GLU A 52 -5.007 9.168 -6.178 1.00 1.11 O ATOM 832 OE2 GLU A 52 -3.703 7.549 -6.892 1.00 13.53 O1- ATOM 0 H GLU A 52 -5.184 9.546 -11.044 1.00 43.45 H new ATOM 0 HA GLU A 52 -7.821 10.026 -9.831 1.00 74.23 H new ATOM 0 HB2 GLU A 52 -6.835 8.998 -7.851 1.00 62.32 H new ATOM 0 HB3 GLU A 52 -6.606 7.955 -9.240 1.00 62.32 H new ATOM 0 HG2 GLU A 52 -4.337 8.158 -9.203 1.00 31.32 H new ATOM 0 HG3 GLU A 52 -4.383 9.852 -8.755 1.00 31.32 H new ATOM 839 N THR A 53 -5.990 12.337 -9.986 1.00 10.43 N ATOM 840 CA THR A 53 -5.583 13.664 -9.540 1.00 64.14 C ATOM 841 C THR A 53 -6.262 14.753 -10.362 1.00 61.33 C ATOM 842 O THR A 53 -6.153 14.779 -11.588 1.00 24.41 O ATOM 843 CB THR A 53 -4.056 13.843 -9.635 1.00 63.05 C ATOM 844 OG1 THR A 53 -3.663 13.983 -11.004 1.00 51.43 O ATOM 845 CG2 THR A 53 -3.332 12.658 -9.014 1.00 24.04 C ATOM 0 H THR A 53 -5.987 12.213 -10.998 1.00 10.43 H new ATOM 0 HA THR A 53 -5.889 13.755 -8.498 1.00 64.14 H new ATOM 0 HB THR A 53 -3.784 14.744 -9.085 1.00 63.05 H new ATOM 0 HG1 THR A 53 -4.291 13.494 -11.576 1.00 51.43 H new ATOM 0 HG21 THR A 53 -2.255 12.807 -9.093 1.00 24.04 H new ATOM 0 HG22 THR A 53 -3.610 12.571 -7.964 1.00 24.04 H new ATOM 0 HG23 THR A 53 -3.611 11.745 -9.540 1.00 24.04 H new ATOM 853 N SER A 54 -6.964 15.652 -9.678 1.00 71.24 N ATOM 854 CA SER A 54 -7.665 16.743 -10.346 1.00 44.20 C ATOM 855 C SER A 54 -6.697 17.583 -11.175 1.00 61.41 C ATOM 856 O SER A 54 -7.099 18.252 -12.126 1.00 3.34 O ATOM 857 CB SER A 54 -8.373 17.627 -9.318 1.00 23.14 C ATOM 858 OG SER A 54 -7.663 18.835 -9.108 1.00 13.02 O ATOM 0 H SER A 54 -7.062 15.646 -8.663 1.00 71.24 H new ATOM 0 HA SER A 54 -8.408 16.309 -11.015 1.00 44.20 H new ATOM 0 HB2 SER A 54 -9.383 17.850 -9.660 1.00 23.14 H new ATOM 0 HB3 SER A 54 -8.468 17.089 -8.375 1.00 23.14 H new ATOM 0 HG SER A 54 -8.137 19.383 -8.448 1.00 13.02 H new ATOM 864 N GLU A 55 -5.421 17.541 -10.806 1.00 65.13 N ATOM 865 CA GLU A 55 -4.396 18.299 -11.514 1.00 53.13 C ATOM 866 C GLU A 55 -3.903 17.533 -12.739 1.00 1.22 C ATOM 867 O GLU A 55 -3.830 18.080 -13.839 1.00 44.13 O ATOM 868 CB GLU A 55 -3.222 18.606 -10.584 1.00 24.43 C ATOM 869 CG GLU A 55 -3.007 20.090 -10.343 1.00 2.44 C ATOM 870 CD GLU A 55 -1.545 20.447 -10.165 1.00 45.54 C ATOM 871 OE1 GLU A 55 -1.036 20.320 -9.031 1.00 75.22 O ATOM 872 OE2 GLU A 55 -0.908 20.855 -11.160 1.00 25.42 O1- ATOM 0 H GLU A 55 -5.072 16.990 -10.021 1.00 65.13 H new ATOM 0 HA GLU A 55 -4.839 19.237 -11.847 1.00 53.13 H new ATOM 0 HB2 GLU A 55 -3.389 18.112 -9.627 1.00 24.43 H new ATOM 0 HB3 GLU A 55 -2.313 18.180 -11.008 1.00 24.43 H new ATOM 0 HG2 GLU A 55 -3.415 20.653 -11.182 1.00 2.44 H new ATOM 0 HG3 GLU A 55 -3.562 20.394 -9.455 1.00 2.44 H new ATOM 879 N GLY A 56 -3.565 16.263 -12.539 1.00 64.13 N ATOM 880 CA GLY A 56 -3.081 15.443 -13.634 1.00 32.41 C ATOM 881 C GLY A 56 -4.020 15.453 -14.825 1.00 12.15 C ATOM 882 O GLY A 56 -3.590 15.650 -15.961 1.00 53.13 O ATOM 0 H GLY A 56 -3.618 15.787 -11.638 1.00 64.13 H new ATOM 0 HA2 GLY A 56 -2.100 15.801 -13.946 1.00 32.41 H new ATOM 0 HA3 GLY A 56 -2.951 14.418 -13.286 1.00 32.41 H new ATOM 886 N CYS A 57 -5.304 15.238 -14.564 1.00 35.45 N ATOM 887 CA CYS A 57 -6.308 15.221 -15.623 1.00 73.43 C ATOM 888 C CYS A 57 -6.216 16.480 -16.479 1.00 74.23 C ATOM 889 O CYS A 57 -6.321 16.418 -17.704 1.00 3.02 O ATOM 890 CB CYS A 57 -7.710 15.097 -15.025 1.00 61.55 C ATOM 891 SG CYS A 57 -8.606 13.616 -15.546 1.00 75.25 S ATOM 0 H CYS A 57 -5.675 15.073 -13.628 1.00 35.45 H new ATOM 0 HA CYS A 57 -6.115 14.356 -16.258 1.00 73.43 H new ATOM 0 HB2 CYS A 57 -7.631 15.097 -13.938 1.00 61.55 H new ATOM 0 HB3 CYS A 57 -8.291 15.977 -15.303 1.00 61.55 H new ATOM 0 HG CYS A 57 -9.351 13.899 -16.573 1.00 75.25 H new ATOM 897 N ARG A 58 -6.022 17.621 -15.825 1.00 70.31 N ATOM 898 CA ARG A 58 -5.919 18.895 -16.526 1.00 74.23 C ATOM 899 C ARG A 58 -4.728 18.896 -17.480 1.00 42.14 C ATOM 900 O ARG A 58 -4.827 19.374 -18.610 1.00 65.42 O ATOM 901 CB ARG A 58 -5.785 20.042 -15.525 1.00 3.44 C ATOM 902 CG ARG A 58 -5.828 21.420 -16.166 1.00 73.31 C ATOM 903 CD ARG A 58 -4.910 22.398 -15.449 1.00 34.45 C ATOM 904 NE ARG A 58 -3.993 23.064 -16.371 1.00 13.44 N ATOM 905 CZ ARG A 58 -3.046 23.910 -15.982 1.00 12.14 C ATOM 906 NH1 ARG A 58 -2.891 24.191 -14.695 1.00 32.15 N1+ ATOM 907 NH2 ARG A 58 -2.251 24.477 -16.880 1.00 71.24 N ATOM 0 H ARG A 58 -5.933 17.689 -14.811 1.00 70.31 H new ATOM 0 HA ARG A 58 -6.829 19.035 -17.109 1.00 74.23 H new ATOM 0 HB2 ARG A 58 -6.587 19.967 -14.791 1.00 3.44 H new ATOM 0 HB3 ARG A 58 -4.846 19.932 -14.983 1.00 3.44 H new ATOM 0 HG2 ARG A 58 -5.534 21.345 -17.213 1.00 73.31 H new ATOM 0 HG3 ARG A 58 -6.850 21.799 -16.148 1.00 73.31 H new ATOM 0 HD2 ARG A 58 -5.511 23.146 -14.931 1.00 34.45 H new ATOM 0 HD3 ARG A 58 -4.337 21.867 -14.689 1.00 34.45 H new ATOM 0 HE ARG A 58 -4.085 22.869 -17.368 1.00 13.44 H new ATOM 0 HH11 ARG A 58 -3.500 23.757 -14.001 1.00 32.15 H new ATOM 0 HH12 ARG A 58 -2.163 24.841 -14.399 1.00 32.15 H new ATOM 0 HH21 ARG A 58 -2.367 24.263 -17.871 1.00 71.24 H new ATOM 0 HH22 ARG A 58 -1.524 25.127 -16.580 1.00 71.24 H new ATOM 921 N GLN A 59 -3.604 18.359 -17.016 1.00 12.23 N ATOM 922 CA GLN A 59 -2.394 18.301 -17.827 1.00 14.20 C ATOM 923 C GLN A 59 -2.584 17.371 -19.021 1.00 52.43 C ATOM 924 O GLN A 59 -2.206 17.703 -20.145 1.00 42.25 O ATOM 925 CB GLN A 59 -1.210 17.829 -16.981 1.00 55.31 C ATOM 926 CG GLN A 59 -1.001 18.647 -15.717 1.00 33.12 C ATOM 927 CD GLN A 59 0.439 19.082 -15.535 1.00 61.20 C ATOM 928 OE1 GLN A 59 1.154 18.561 -14.679 1.00 0.24 O ATOM 929 NE2 GLN A 59 0.875 20.042 -16.342 1.00 12.44 N ATOM 0 H GLN A 59 -3.506 17.958 -16.083 1.00 12.23 H new ATOM 0 HA GLN A 59 -2.188 19.304 -18.200 1.00 14.20 H new ATOM 0 HB2 GLN A 59 -1.363 16.785 -16.707 1.00 55.31 H new ATOM 0 HB3 GLN A 59 -0.303 17.870 -17.585 1.00 55.31 H new ATOM 0 HG2 GLN A 59 -1.641 19.528 -15.749 1.00 33.12 H new ATOM 0 HG3 GLN A 59 -1.311 18.059 -14.853 1.00 33.12 H new ATOM 0 HE21 GLN A 59 0.249 20.447 -17.038 1.00 12.44 H new ATOM 0 HE22 GLN A 59 1.836 20.375 -16.266 1.00 12.44 H new ATOM 938 N ILE A 60 -3.172 16.206 -18.770 1.00 63.22 N ATOM 939 CA ILE A 60 -3.412 15.229 -19.825 1.00 22.51 C ATOM 940 C ILE A 60 -4.217 15.839 -20.966 1.00 14.42 C ATOM 941 O ILE A 60 -3.962 15.562 -22.139 1.00 31.24 O ATOM 942 CB ILE A 60 -4.159 13.994 -19.288 1.00 65.23 C ATOM 943 CG1 ILE A 60 -3.358 13.335 -18.162 1.00 53.44 C ATOM 944 CG2 ILE A 60 -4.418 13.002 -20.412 1.00 61.02 C ATOM 945 CD1 ILE A 60 -4.185 12.420 -17.287 1.00 72.25 C ATOM 0 H ILE A 60 -3.491 15.916 -17.846 1.00 63.22 H new ATOM 0 HA ILE A 60 -2.435 14.920 -20.197 1.00 22.51 H new ATOM 0 HB ILE A 60 -5.119 14.315 -18.885 1.00 65.23 H new ATOM 0 HG12 ILE A 60 -2.537 12.764 -18.597 1.00 53.44 H new ATOM 0 HG13 ILE A 60 -2.912 14.112 -17.541 1.00 53.44 H new ATOM 0 HG21 ILE A 60 -4.947 12.134 -20.017 1.00 61.02 H new ATOM 0 HG22 ILE A 60 -5.025 13.476 -21.183 1.00 61.02 H new ATOM 0 HG23 ILE A 60 -3.468 12.683 -20.842 1.00 61.02 H new ATOM 0 HD11 ILE A 60 -3.552 11.989 -16.511 1.00 72.25 H new ATOM 0 HD12 ILE A 60 -4.990 12.990 -16.823 1.00 72.25 H new ATOM 0 HD13 ILE A 60 -4.610 11.621 -17.895 1.00 72.25 H new ATOM 957 N LEU A 61 -5.190 16.674 -20.617 1.00 1.31 N ATOM 958 CA LEU A 61 -6.033 17.327 -21.612 1.00 30.54 C ATOM 959 C LEU A 61 -5.255 18.405 -22.362 1.00 35.41 C ATOM 960 O LEU A 61 -5.576 18.734 -23.503 1.00 30.11 O ATOM 961 CB LEU A 61 -7.263 17.942 -20.943 1.00 15.13 C ATOM 962 CG LEU A 61 -8.187 16.968 -20.212 1.00 34.33 C ATOM 963 CD1 LEU A 61 -8.909 17.670 -19.073 1.00 2.35 C ATOM 964 CD2 LEU A 61 -9.187 16.352 -21.180 1.00 1.12 C ATOM 0 H LEU A 61 -5.415 16.915 -19.652 1.00 1.31 H new ATOM 0 HA LEU A 61 -6.357 16.573 -22.329 1.00 30.54 H new ATOM 0 HB2 LEU A 61 -6.926 18.695 -20.231 1.00 15.13 H new ATOM 0 HB3 LEU A 61 -7.845 18.461 -21.705 1.00 15.13 H new ATOM 0 HG LEU A 61 -7.579 16.167 -19.791 1.00 34.33 H new ATOM 0 HD11 LEU A 61 -9.562 16.961 -18.564 1.00 2.35 H new ATOM 0 HD12 LEU A 61 -8.178 18.062 -18.366 1.00 2.35 H new ATOM 0 HD13 LEU A 61 -9.505 18.491 -19.471 1.00 2.35 H new ATOM 0 HD21 LEU A 61 -9.836 15.661 -20.642 1.00 1.12 H new ATOM 0 HD22 LEU A 61 -9.790 17.140 -21.631 1.00 1.12 H new ATOM 0 HD23 LEU A 61 -8.652 15.813 -21.962 1.00 1.12 H new ATOM 976 N GLY A 62 -4.230 18.948 -21.712 1.00 32.35 N ATOM 977 CA GLY A 62 -3.422 19.981 -22.333 1.00 74.42 C ATOM 978 C GLY A 62 -2.598 19.453 -23.491 1.00 51.32 C ATOM 979 O GLY A 62 -2.388 20.154 -24.481 1.00 34.15 O ATOM 0 H GLY A 62 -3.945 18.691 -20.767 1.00 32.35 H new ATOM 0 HA2 GLY A 62 -4.071 20.782 -22.688 1.00 74.42 H new ATOM 0 HA3 GLY A 62 -2.758 20.416 -21.587 1.00 74.42 H new ATOM 983 N GLN A 63 -2.129 18.216 -23.367 1.00 70.02 N ATOM 984 CA GLN A 63 -1.321 17.597 -24.410 1.00 75.21 C ATOM 985 C GLN A 63 -2.204 17.016 -25.510 1.00 54.30 C ATOM 986 O GLN A 63 -1.780 16.888 -26.660 1.00 42.12 O ATOM 987 CB GLN A 63 -0.437 16.499 -23.818 1.00 24.32 C ATOM 988 CG GLN A 63 0.965 16.971 -23.468 1.00 25.24 C ATOM 989 CD GLN A 63 1.244 16.915 -21.978 1.00 4.11 C ATOM 990 OE1 GLN A 63 1.457 17.944 -21.336 1.00 4.14 O ATOM 991 NE2 GLN A 63 1.246 15.710 -21.419 1.00 53.12 N ATOM 0 H GLN A 63 -2.295 17.623 -22.554 1.00 70.02 H new ATOM 0 HA GLN A 63 -0.686 18.368 -24.847 1.00 75.21 H new ATOM 0 HB2 GLN A 63 -0.913 16.105 -22.920 1.00 24.32 H new ATOM 0 HB3 GLN A 63 -0.368 15.676 -24.530 1.00 24.32 H new ATOM 0 HG2 GLN A 63 1.694 16.354 -23.994 1.00 25.24 H new ATOM 0 HG3 GLN A 63 1.099 17.994 -23.821 1.00 25.24 H new ATOM 0 HE21 GLN A 63 1.065 14.883 -21.988 1.00 53.12 H new ATOM 0 HE22 GLN A 63 1.429 15.611 -20.420 1.00 53.12 H new ATOM 1000 N LEU A 64 -3.434 16.666 -25.151 1.00 61.52 N ATOM 1001 CA LEU A 64 -4.378 16.098 -26.107 1.00 23.32 C ATOM 1002 C LEU A 64 -5.131 17.198 -26.847 1.00 14.05 C ATOM 1003 O LEU A 64 -5.589 17.000 -27.972 1.00 73.31 O ATOM 1004 CB LEU A 64 -5.369 15.178 -25.391 1.00 23.01 C ATOM 1005 CG LEU A 64 -4.837 13.803 -24.985 1.00 52.04 C ATOM 1006 CD1 LEU A 64 -5.709 13.192 -23.899 1.00 21.00 C ATOM 1007 CD2 LEU A 64 -4.764 12.882 -26.194 1.00 52.24 C ATOM 0 H LEU A 64 -3.801 16.766 -24.205 1.00 61.52 H new ATOM 0 HA LEU A 64 -3.813 15.516 -26.836 1.00 23.32 H new ATOM 0 HB2 LEU A 64 -5.724 15.687 -24.495 1.00 23.01 H new ATOM 0 HB3 LEU A 64 -6.233 15.034 -26.039 1.00 23.01 H new ATOM 0 HG LEU A 64 -3.830 13.927 -24.586 1.00 52.04 H new ATOM 0 HD11 LEU A 64 -5.315 12.214 -23.623 1.00 21.00 H new ATOM 0 HD12 LEU A 64 -5.710 13.843 -23.024 1.00 21.00 H new ATOM 0 HD13 LEU A 64 -6.728 13.081 -24.270 1.00 21.00 H new ATOM 0 HD21 LEU A 64 -4.383 11.908 -25.887 1.00 52.24 H new ATOM 0 HD22 LEU A 64 -5.759 12.764 -26.622 1.00 52.24 H new ATOM 0 HD23 LEU A 64 -4.097 13.313 -26.940 1.00 52.24 H new ATOM 1019 N GLN A 65 -5.253 18.357 -26.209 1.00 74.50 N ATOM 1020 CA GLN A 65 -5.950 19.489 -26.809 1.00 2.31 C ATOM 1021 C GLN A 65 -5.409 19.784 -28.203 1.00 51.24 C ATOM 1022 O GLN A 65 -6.125 19.709 -29.202 1.00 14.02 O ATOM 1023 CB GLN A 65 -5.811 20.728 -25.922 1.00 34.15 C ATOM 1024 CG GLN A 65 -7.082 21.080 -25.166 1.00 3.32 C ATOM 1025 CD GLN A 65 -7.815 22.260 -25.773 1.00 33.42 C ATOM 1026 OE1 GLN A 65 -8.694 22.091 -26.619 1.00 53.22 O ATOM 1027 NE2 GLN A 65 -7.457 23.464 -25.344 1.00 11.04 N ATOM 0 H GLN A 65 -4.879 18.537 -25.277 1.00 74.50 H new ATOM 0 HA GLN A 65 -7.005 19.230 -26.896 1.00 2.31 H new ATOM 0 HB2 GLN A 65 -5.006 20.564 -25.206 1.00 34.15 H new ATOM 0 HB3 GLN A 65 -5.519 21.577 -26.541 1.00 34.15 H new ATOM 0 HG2 GLN A 65 -7.744 20.214 -25.153 1.00 3.32 H new ATOM 0 HG3 GLN A 65 -6.833 21.306 -24.129 1.00 3.32 H new ATOM 0 HE21 GLN A 65 -6.723 23.558 -24.641 1.00 11.04 H new ATOM 0 HE22 GLN A 65 -7.915 24.295 -25.717 1.00 11.04 H new ATOM 1036 N PRO A 66 -4.115 20.129 -28.276 1.00 1.10 N ATOM 1037 CA PRO A 66 -3.449 20.443 -29.544 1.00 34.43 C ATOM 1038 C PRO A 66 -3.272 19.210 -30.425 1.00 50.22 C ATOM 1039 O PRO A 66 -3.020 19.326 -31.625 1.00 34.42 O ATOM 1040 CB PRO A 66 -2.087 20.986 -29.104 1.00 74.24 C ATOM 1041 CG PRO A 66 -1.849 20.373 -27.768 1.00 41.41 C ATOM 1042 CD PRO A 66 -3.201 20.239 -27.126 1.00 33.13 C ATOM 0 HA PRO A 66 -4.027 21.143 -30.147 1.00 34.43 H new ATOM 0 HB2 PRO A 66 -1.304 20.711 -29.811 1.00 74.24 H new ATOM 0 HB3 PRO A 66 -2.095 22.074 -29.045 1.00 74.24 H new ATOM 0 HG2 PRO A 66 -1.365 19.401 -27.865 1.00 41.41 H new ATOM 0 HG3 PRO A 66 -1.191 20.997 -27.164 1.00 41.41 H new ATOM 0 HD2 PRO A 66 -3.256 19.360 -26.484 1.00 33.13 H new ATOM 0 HD3 PRO A 66 -3.438 21.103 -26.505 1.00 33.13 H new ATOM 1050 N SER A 67 -3.404 18.033 -29.824 1.00 4.03 N ATOM 1051 CA SER A 67 -3.255 16.780 -30.554 1.00 24.12 C ATOM 1052 C SER A 67 -4.548 16.415 -31.276 1.00 25.51 C ATOM 1053 O SER A 67 -4.529 15.721 -32.293 1.00 13.22 O ATOM 1054 CB SER A 67 -2.856 15.654 -29.598 1.00 64.25 C ATOM 1055 OG SER A 67 -1.672 15.009 -30.036 1.00 52.32 O ATOM 0 H SER A 67 -3.614 17.920 -28.832 1.00 4.03 H new ATOM 0 HA SER A 67 -2.469 16.912 -31.298 1.00 24.12 H new ATOM 0 HB2 SER A 67 -2.705 16.059 -28.597 1.00 64.25 H new ATOM 0 HB3 SER A 67 -3.666 14.927 -29.529 1.00 64.25 H new ATOM 0 HG SER A 67 -1.437 14.295 -29.408 1.00 52.32 H new ATOM 1061 N LEU A 68 -5.669 16.887 -30.743 1.00 40.22 N ATOM 1062 CA LEU A 68 -6.973 16.612 -31.336 1.00 54.11 C ATOM 1063 C LEU A 68 -6.982 16.964 -32.820 1.00 1.41 C ATOM 1064 O LEU A 68 -7.681 16.333 -33.613 1.00 40.11 O ATOM 1065 CB LEU A 68 -8.064 17.398 -30.607 1.00 23.45 C ATOM 1066 CG LEU A 68 -8.589 16.774 -29.313 1.00 34.25 C ATOM 1067 CD1 LEU A 68 -9.622 17.683 -28.663 1.00 42.22 C ATOM 1068 CD2 LEU A 68 -9.183 15.401 -29.587 1.00 34.44 C ATOM 0 H LEU A 68 -5.701 17.462 -29.901 1.00 40.22 H new ATOM 0 HA LEU A 68 -7.173 15.545 -31.233 1.00 54.11 H new ATOM 0 HB2 LEU A 68 -7.677 18.391 -30.377 1.00 23.45 H new ATOM 0 HB3 LEU A 68 -8.904 17.533 -31.289 1.00 23.45 H new ATOM 0 HG LEU A 68 -7.753 16.656 -28.623 1.00 34.25 H new ATOM 0 HD11 LEU A 68 -9.984 17.223 -27.744 1.00 42.22 H new ATOM 0 HD12 LEU A 68 -9.166 18.645 -28.432 1.00 42.22 H new ATOM 0 HD13 LEU A 68 -10.457 17.833 -29.347 1.00 42.22 H new ATOM 0 HD21 LEU A 68 -9.552 14.972 -28.655 1.00 34.44 H new ATOM 0 HD22 LEU A 68 -10.007 15.496 -30.294 1.00 34.44 H new ATOM 0 HD23 LEU A 68 -8.417 14.750 -30.008 1.00 34.44 H new ATOM 1080 N GLN A 69 -6.201 17.975 -33.188 1.00 3.05 N ATOM 1081 CA GLN A 69 -6.118 18.411 -34.577 1.00 31.44 C ATOM 1082 C GLN A 69 -5.776 17.241 -35.494 1.00 40.01 C ATOM 1083 O GLN A 69 -6.442 17.015 -36.505 1.00 1.12 O ATOM 1084 CB GLN A 69 -5.072 19.515 -34.725 1.00 42.42 C ATOM 1085 CG GLN A 69 -5.093 20.195 -36.085 1.00 64.31 C ATOM 1086 CD GLN A 69 -3.706 20.372 -36.671 1.00 13.52 C ATOM 1087 OE1 GLN A 69 -3.354 19.736 -37.666 1.00 4.13 O ATOM 1088 NE2 GLN A 69 -2.910 21.239 -36.057 1.00 32.14 N ATOM 0 H GLN A 69 -5.617 18.507 -32.543 1.00 3.05 H new ATOM 0 HA GLN A 69 -7.092 18.804 -34.868 1.00 31.44 H new ATOM 0 HB2 GLN A 69 -5.235 20.265 -33.951 1.00 42.42 H new ATOM 0 HB3 GLN A 69 -4.082 19.091 -34.555 1.00 42.42 H new ATOM 0 HG2 GLN A 69 -5.701 19.606 -36.772 1.00 64.31 H new ATOM 0 HG3 GLN A 69 -5.571 21.170 -35.992 1.00 64.31 H new ATOM 0 HE21 GLN A 69 -3.243 21.744 -35.236 1.00 32.14 H new ATOM 0 HE22 GLN A 69 -1.965 21.400 -36.406 1.00 32.14 H new ATOM 1097 N THR A 70 -4.732 16.501 -35.135 1.00 61.43 N ATOM 1098 CA THR A 70 -4.299 15.356 -35.927 1.00 5.13 C ATOM 1099 C THR A 70 -4.375 14.067 -35.117 1.00 2.13 C ATOM 1100 O THR A 70 -3.466 13.241 -35.160 1.00 25.22 O ATOM 1101 CB THR A 70 -2.859 15.541 -36.442 1.00 34.24 C ATOM 1102 OG1 THR A 70 -1.989 15.874 -35.354 1.00 13.31 O ATOM 1103 CG2 THR A 70 -2.798 16.631 -37.500 1.00 14.32 C ATOM 0 H THR A 70 -4.171 16.674 -34.301 1.00 61.43 H new ATOM 0 HA THR A 70 -4.976 15.287 -36.779 1.00 5.13 H new ATOM 0 HB THR A 70 -2.534 14.603 -36.892 1.00 34.24 H new ATOM 0 HG1 THR A 70 -1.075 15.988 -35.689 1.00 13.31 H new ATOM 0 HG21 THR A 70 -1.771 16.743 -37.848 1.00 14.32 H new ATOM 0 HG22 THR A 70 -3.438 16.360 -38.339 1.00 14.32 H new ATOM 0 HG23 THR A 70 -3.141 17.573 -37.072 1.00 14.32 H new ATOM 1111 N GLY A 71 -5.469 13.901 -34.378 1.00 43.25 N ATOM 1112 CA GLY A 71 -5.643 12.710 -33.568 1.00 32.11 C ATOM 1113 C GLY A 71 -6.443 11.637 -34.281 1.00 63.21 C ATOM 1114 O GLY A 71 -6.999 11.876 -35.353 1.00 63.22 O ATOM 0 H GLY A 71 -6.237 14.570 -34.326 1.00 43.25 H new ATOM 0 HA2 GLY A 71 -4.665 12.311 -33.299 1.00 32.11 H new ATOM 0 HA3 GLY A 71 -6.146 12.977 -32.638 1.00 32.11 H new ATOM 1118 N SER A 72 -6.501 10.450 -33.685 1.00 41.54 N ATOM 1119 CA SER A 72 -7.234 9.335 -34.272 1.00 54.11 C ATOM 1120 C SER A 72 -8.303 8.821 -33.312 1.00 64.34 C ATOM 1121 O SER A 72 -8.563 9.429 -32.275 1.00 43.23 O ATOM 1122 CB SER A 72 -6.274 8.202 -34.638 1.00 64.34 C ATOM 1123 OG SER A 72 -6.047 7.347 -33.530 1.00 1.23 O ATOM 0 H SER A 72 -6.049 10.236 -32.796 1.00 41.54 H new ATOM 0 HA SER A 72 -7.725 9.692 -35.177 1.00 54.11 H new ATOM 0 HB2 SER A 72 -6.685 7.626 -35.467 1.00 64.34 H new ATOM 0 HB3 SER A 72 -5.327 8.620 -34.979 1.00 64.34 H new ATOM 0 HG SER A 72 -5.432 6.630 -33.791 1.00 1.23 H new ATOM 1129 N GLU A 73 -8.917 7.697 -33.667 1.00 72.43 N ATOM 1130 CA GLU A 73 -9.958 7.101 -32.838 1.00 0.11 C ATOM 1131 C GLU A 73 -9.473 6.920 -31.403 1.00 22.11 C ATOM 1132 O GLU A 73 -10.226 7.125 -30.452 1.00 35.44 O ATOM 1133 CB GLU A 73 -10.392 5.753 -33.415 1.00 13.11 C ATOM 1134 CG GLU A 73 -11.422 5.029 -32.564 1.00 42.24 C ATOM 1135 CD GLU A 73 -12.561 4.458 -33.385 1.00 50.11 C ATOM 1136 OE1 GLU A 73 -12.290 3.904 -34.471 1.00 73.31 O1- ATOM 1137 OE2 GLU A 73 -13.723 4.565 -32.942 1.00 2.43 O ATOM 0 H GLU A 73 -8.712 7.181 -34.523 1.00 72.43 H new ATOM 0 HA GLU A 73 -10.813 7.777 -32.832 1.00 0.11 H new ATOM 0 HB2 GLU A 73 -10.803 5.910 -34.412 1.00 13.11 H new ATOM 0 HB3 GLU A 73 -9.514 5.116 -33.528 1.00 13.11 H new ATOM 0 HG2 GLU A 73 -10.934 4.222 -32.017 1.00 42.24 H new ATOM 0 HG3 GLU A 73 -11.824 5.719 -31.822 1.00 42.24 H new ATOM 1144 N GLU A 74 -8.209 6.535 -31.256 1.00 44.33 N ATOM 1145 CA GLU A 74 -7.624 6.325 -29.936 1.00 51.14 C ATOM 1146 C GLU A 74 -7.499 7.645 -29.180 1.00 51.14 C ATOM 1147 O GLU A 74 -7.869 7.740 -28.009 1.00 21.41 O ATOM 1148 CB GLU A 74 -6.249 5.666 -30.063 1.00 72.21 C ATOM 1149 CG GLU A 74 -6.199 4.252 -29.511 1.00 72.53 C ATOM 1150 CD GLU A 74 -6.158 3.200 -30.602 1.00 52.43 C ATOM 1151 OE1 GLU A 74 -5.056 2.917 -31.114 1.00 63.35 O1- ATOM 1152 OE2 GLU A 74 -7.231 2.660 -30.946 1.00 10.23 O ATOM 0 H GLU A 74 -7.571 6.362 -32.033 1.00 44.33 H new ATOM 0 HA GLU A 74 -8.285 5.665 -29.374 1.00 51.14 H new ATOM 0 HB2 GLU A 74 -5.960 5.647 -31.114 1.00 72.21 H new ATOM 0 HB3 GLU A 74 -5.513 6.277 -29.541 1.00 72.21 H new ATOM 0 HG2 GLU A 74 -5.320 4.145 -28.875 1.00 72.53 H new ATOM 0 HG3 GLU A 74 -7.071 4.081 -28.880 1.00 72.53 H new ATOM 1159 N LEU A 75 -6.976 8.661 -29.858 1.00 22.44 N ATOM 1160 CA LEU A 75 -6.802 9.976 -29.251 1.00 25.54 C ATOM 1161 C LEU A 75 -8.142 10.552 -28.805 1.00 32.20 C ATOM 1162 O LEU A 75 -8.219 11.275 -27.811 1.00 32.32 O ATOM 1163 CB LEU A 75 -6.127 10.930 -30.237 1.00 63.54 C ATOM 1164 CG LEU A 75 -5.259 12.028 -29.622 1.00 14.31 C ATOM 1165 CD1 LEU A 75 -3.925 12.123 -30.346 1.00 23.42 C ATOM 1166 CD2 LEU A 75 -5.985 13.366 -29.661 1.00 11.11 C ATOM 0 H LEU A 75 -6.665 8.599 -30.828 1.00 22.44 H new ATOM 0 HA LEU A 75 -6.166 9.862 -28.373 1.00 25.54 H new ATOM 0 HB2 LEU A 75 -5.508 10.342 -30.914 1.00 63.54 H new ATOM 0 HB3 LEU A 75 -6.901 11.403 -30.842 1.00 63.54 H new ATOM 0 HG LEU A 75 -5.066 11.771 -28.580 1.00 14.31 H new ATOM 0 HD11 LEU A 75 -3.321 12.910 -29.894 1.00 23.42 H new ATOM 0 HD12 LEU A 75 -3.399 11.171 -30.267 1.00 23.42 H new ATOM 0 HD13 LEU A 75 -4.097 12.356 -31.397 1.00 23.42 H new ATOM 0 HD21 LEU A 75 -5.353 14.136 -29.219 1.00 11.11 H new ATOM 0 HD22 LEU A 75 -6.208 13.629 -30.695 1.00 11.11 H new ATOM 0 HD23 LEU A 75 -6.915 13.292 -29.097 1.00 11.11 H new ATOM 1178 N ARG A 76 -9.196 10.226 -29.545 1.00 54.32 N ATOM 1179 CA ARG A 76 -10.533 10.710 -29.227 1.00 2.35 C ATOM 1180 C ARG A 76 -11.014 10.142 -27.894 1.00 34.23 C ATOM 1181 O ARG A 76 -11.310 10.888 -26.961 1.00 24.02 O ATOM 1182 CB ARG A 76 -11.515 10.333 -30.338 1.00 60.22 C ATOM 1183 CG ARG A 76 -12.007 11.521 -31.146 1.00 42.43 C ATOM 1184 CD ARG A 76 -11.959 11.238 -32.640 1.00 10.33 C ATOM 1185 NE ARG A 76 -12.940 10.232 -33.037 1.00 14.13 N ATOM 1186 CZ ARG A 76 -13.232 9.950 -34.303 1.00 24.12 C ATOM 1187 NH1 ARG A 76 -12.621 10.593 -35.286 1.00 50.35 N1+ ATOM 1188 NH2 ARG A 76 -14.138 9.022 -34.584 1.00 61.13 N ATOM 0 H ARG A 76 -9.150 9.628 -30.370 1.00 54.32 H new ATOM 0 HA ARG A 76 -10.488 11.796 -29.146 1.00 2.35 H new ATOM 0 HB2 ARG A 76 -11.034 9.622 -31.010 1.00 60.22 H new ATOM 0 HB3 ARG A 76 -12.372 9.825 -29.896 1.00 60.22 H new ATOM 0 HG2 ARG A 76 -13.029 11.763 -30.853 1.00 42.43 H new ATOM 0 HG3 ARG A 76 -11.395 12.394 -30.920 1.00 42.43 H new ATOM 0 HD2 ARG A 76 -12.143 12.161 -33.190 1.00 10.33 H new ATOM 0 HD3 ARG A 76 -10.960 10.898 -32.913 1.00 10.33 H new ATOM 0 HE ARG A 76 -13.428 9.718 -32.303 1.00 14.13 H new ATOM 0 HH11 ARG A 76 -11.924 11.307 -35.073 1.00 50.35 H new ATOM 0 HH12 ARG A 76 -12.847 10.375 -36.256 1.00 50.35 H new ATOM 0 HH21 ARG A 76 -14.610 8.525 -33.829 1.00 61.13 H new ATOM 0 HH22 ARG A 76 -14.362 8.806 -35.555 1.00 61.13 H new ATOM 1202 N SER A 77 -11.089 8.818 -27.815 1.00 23.31 N ATOM 1203 CA SER A 77 -11.538 8.150 -26.599 1.00 72.42 C ATOM 1204 C SER A 77 -10.741 8.628 -25.390 1.00 44.05 C ATOM 1205 O SER A 77 -11.247 8.653 -24.267 1.00 53.14 O ATOM 1206 CB SER A 77 -11.402 6.632 -26.745 1.00 50.33 C ATOM 1207 OG SER A 77 -12.464 6.097 -27.514 1.00 72.14 O ATOM 0 H SER A 77 -10.845 8.187 -28.578 1.00 23.31 H new ATOM 0 HA SER A 77 -12.587 8.401 -26.443 1.00 72.42 H new ATOM 0 HB2 SER A 77 -10.450 6.393 -27.218 1.00 50.33 H new ATOM 0 HB3 SER A 77 -11.393 6.168 -25.759 1.00 50.33 H new ATOM 0 HG SER A 77 -12.353 5.127 -27.594 1.00 72.14 H new ATOM 1213 N LEU A 78 -9.490 9.008 -25.627 1.00 1.32 N ATOM 1214 CA LEU A 78 -8.620 9.488 -24.558 1.00 70.30 C ATOM 1215 C LEU A 78 -9.066 10.861 -24.067 1.00 50.44 C ATOM 1216 O LEU A 78 -9.550 11.004 -22.944 1.00 73.12 O ATOM 1217 CB LEU A 78 -7.172 9.552 -25.044 1.00 45.14 C ATOM 1218 CG LEU A 78 -6.201 8.561 -24.398 1.00 12.34 C ATOM 1219 CD1 LEU A 78 -6.744 7.144 -24.495 1.00 55.40 C ATOM 1220 CD2 LEU A 78 -4.830 8.655 -25.051 1.00 34.01 C ATOM 0 H LEU A 78 -9.055 8.993 -26.550 1.00 1.32 H new ATOM 0 HA LEU A 78 -8.687 8.787 -23.726 1.00 70.30 H new ATOM 0 HB2 LEU A 78 -7.164 9.387 -26.121 1.00 45.14 H new ATOM 0 HB3 LEU A 78 -6.797 10.561 -24.873 1.00 45.14 H new ATOM 0 HG LEU A 78 -6.097 8.817 -23.344 1.00 12.34 H new ATOM 0 HD11 LEU A 78 -6.041 6.452 -24.031 1.00 55.40 H new ATOM 0 HD12 LEU A 78 -7.703 7.086 -23.981 1.00 55.40 H new ATOM 0 HD13 LEU A 78 -6.878 6.876 -25.543 1.00 55.40 H new ATOM 0 HD21 LEU A 78 -4.153 7.943 -24.579 1.00 34.01 H new ATOM 0 HD22 LEU A 78 -4.916 8.425 -26.113 1.00 34.01 H new ATOM 0 HD23 LEU A 78 -4.438 9.665 -24.930 1.00 34.01 H new ATOM 1232 N TYR A 79 -8.903 11.869 -24.917 1.00 42.23 N ATOM 1233 CA TYR A 79 -9.288 13.231 -24.570 1.00 55.10 C ATOM 1234 C TYR A 79 -10.749 13.290 -24.135 1.00 22.45 C ATOM 1235 O TYR A 79 -11.141 14.157 -23.354 1.00 75.14 O ATOM 1236 CB TYR A 79 -9.061 14.166 -25.760 1.00 13.52 C ATOM 1237 CG TYR A 79 -9.453 15.601 -25.486 1.00 64.33 C ATOM 1238 CD1 TYR A 79 -8.608 16.449 -24.780 1.00 73.41 C ATOM 1239 CD2 TYR A 79 -10.667 16.108 -25.931 1.00 32.41 C ATOM 1240 CE1 TYR A 79 -8.961 17.760 -24.526 1.00 54.51 C ATOM 1241 CE2 TYR A 79 -11.028 17.418 -25.683 1.00 21.35 C ATOM 1242 CZ TYR A 79 -10.172 18.240 -24.980 1.00 51.14 C ATOM 1243 OH TYR A 79 -10.528 19.545 -24.730 1.00 13.41 O ATOM 0 H TYR A 79 -8.507 11.768 -25.851 1.00 42.23 H new ATOM 0 HA TYR A 79 -8.666 13.556 -23.736 1.00 55.10 H new ATOM 0 HB2 TYR A 79 -8.009 14.133 -26.042 1.00 13.52 H new ATOM 0 HB3 TYR A 79 -9.631 13.799 -26.614 1.00 13.52 H new ATOM 0 HD1 TYR A 79 -7.659 16.076 -24.424 1.00 73.41 H new ATOM 0 HD2 TYR A 79 -11.340 15.467 -26.480 1.00 32.41 H new ATOM 0 HE1 TYR A 79 -8.293 18.405 -23.975 1.00 54.51 H new ATOM 0 HE2 TYR A 79 -11.975 17.797 -26.038 1.00 21.35 H new ATOM 0 HH TYR A 79 -11.410 19.724 -25.118 1.00 13.41 H new ATOM 1253 N ASN A 80 -11.549 12.360 -24.644 1.00 33.22 N ATOM 1254 CA ASN A 80 -12.967 12.304 -24.309 1.00 21.44 C ATOM 1255 C ASN A 80 -13.171 11.771 -22.894 1.00 32.44 C ATOM 1256 O ASN A 80 -13.754 12.443 -22.042 1.00 50.04 O ATOM 1257 CB ASN A 80 -13.716 11.423 -25.310 1.00 72.40 C ATOM 1258 CG ASN A 80 -14.002 12.143 -26.613 1.00 74.04 C ATOM 1259 OD1 ASN A 80 -13.823 13.357 -26.718 1.00 21.34 O ATOM 1260 ND2 ASN A 80 -14.449 11.396 -27.617 1.00 1.24 N ATOM 0 H ASN A 80 -11.240 11.634 -25.290 1.00 33.22 H new ATOM 0 HA ASN A 80 -13.366 13.317 -24.358 1.00 21.44 H new ATOM 0 HB2 ASN A 80 -13.127 10.528 -25.514 1.00 72.40 H new ATOM 0 HB3 ASN A 80 -14.655 11.092 -24.867 1.00 72.40 H new ATOM 0 HD21 ASN A 80 -14.658 11.825 -28.518 1.00 1.24 H new ATOM 0 HD22 ASN A 80 -14.583 10.393 -27.486 1.00 1.24 H new ATOM 1267 N THR A 81 -12.686 10.558 -22.649 1.00 74.51 N ATOM 1268 CA THR A 81 -12.815 9.933 -21.338 1.00 72.20 C ATOM 1269 C THR A 81 -12.105 10.753 -20.267 1.00 70.23 C ATOM 1270 O THR A 81 -12.706 11.123 -19.257 1.00 44.54 O ATOM 1271 CB THR A 81 -12.241 8.503 -21.339 1.00 10.43 C ATOM 1272 OG1 THR A 81 -12.945 7.693 -22.286 1.00 34.04 O ATOM 1273 CG2 THR A 81 -12.343 7.879 -19.955 1.00 33.32 C ATOM 0 H THR A 81 -12.200 9.988 -23.342 1.00 74.51 H new ATOM 0 HA THR A 81 -13.880 9.889 -21.111 1.00 72.20 H new ATOM 0 HB THR A 81 -11.189 8.557 -21.620 1.00 10.43 H new ATOM 0 HG1 THR A 81 -12.544 7.803 -23.173 1.00 34.04 H new ATOM 0 HG21 THR A 81 -11.932 6.870 -19.980 1.00 33.32 H new ATOM 0 HG22 THR A 81 -11.782 8.482 -19.242 1.00 33.32 H new ATOM 0 HG23 THR A 81 -13.389 7.837 -19.651 1.00 33.32 H new ATOM 1281 N ILE A 82 -10.827 11.032 -20.493 1.00 45.51 N ATOM 1282 CA ILE A 82 -10.036 11.811 -19.546 1.00 74.22 C ATOM 1283 C ILE A 82 -10.731 13.123 -19.199 1.00 53.00 C ATOM 1284 O ILE A 82 -10.656 13.595 -18.065 1.00 22.13 O ATOM 1285 CB ILE A 82 -8.633 12.118 -20.103 1.00 73.32 C ATOM 1286 CG1 ILE A 82 -7.893 10.818 -20.425 1.00 70.43 C ATOM 1287 CG2 ILE A 82 -7.840 12.953 -19.109 1.00 15.00 C ATOM 1288 CD1 ILE A 82 -6.740 11.001 -21.387 1.00 12.01 C ATOM 0 H ILE A 82 -10.316 10.731 -21.323 1.00 45.51 H new ATOM 0 HA ILE A 82 -9.936 11.206 -18.645 1.00 74.22 H new ATOM 0 HB ILE A 82 -8.741 12.691 -21.024 1.00 73.32 H new ATOM 0 HG12 ILE A 82 -7.517 10.384 -19.498 1.00 70.43 H new ATOM 0 HG13 ILE A 82 -8.599 10.103 -20.848 1.00 70.43 H new ATOM 0 HG21 ILE A 82 -6.851 13.162 -19.517 1.00 15.00 H new ATOM 0 HG22 ILE A 82 -8.362 13.892 -18.924 1.00 15.00 H new ATOM 0 HG23 ILE A 82 -7.738 12.404 -18.173 1.00 15.00 H new ATOM 0 HD11 ILE A 82 -6.262 10.039 -21.569 1.00 12.01 H new ATOM 0 HD12 ILE A 82 -7.112 11.405 -22.328 1.00 12.01 H new ATOM 0 HD13 ILE A 82 -6.014 11.691 -20.957 1.00 12.01 H new ATOM 1300 N ALA A 83 -11.408 13.706 -20.182 1.00 31.24 N ATOM 1301 CA ALA A 83 -12.120 14.961 -19.979 1.00 14.31 C ATOM 1302 C ALA A 83 -13.205 14.813 -18.918 1.00 25.33 C ATOM 1303 O ALA A 83 -13.315 15.635 -18.008 1.00 41.24 O ATOM 1304 CB ALA A 83 -12.726 15.443 -21.290 1.00 42.04 C ATOM 0 H ALA A 83 -11.478 13.329 -21.127 1.00 31.24 H new ATOM 0 HA ALA A 83 -11.403 15.702 -19.627 1.00 14.31 H new ATOM 0 HB1 ALA A 83 -13.255 16.381 -21.123 1.00 42.04 H new ATOM 0 HB2 ALA A 83 -11.933 15.598 -22.022 1.00 42.04 H new ATOM 0 HB3 ALA A 83 -13.424 14.695 -21.665 1.00 42.04 H new ATOM 1310 N VAL A 84 -14.004 13.758 -19.038 1.00 15.42 N ATOM 1311 CA VAL A 84 -15.081 13.501 -18.089 1.00 62.42 C ATOM 1312 C VAL A 84 -14.529 13.237 -16.693 1.00 3.44 C ATOM 1313 O VAL A 84 -15.071 13.721 -15.698 1.00 22.02 O ATOM 1314 CB VAL A 84 -15.939 12.299 -18.525 1.00 25.44 C ATOM 1315 CG1 VAL A 84 -17.040 12.032 -17.509 1.00 62.02 C ATOM 1316 CG2 VAL A 84 -16.526 12.537 -19.908 1.00 45.24 C ATOM 0 H VAL A 84 -13.926 13.067 -19.784 1.00 15.42 H new ATOM 0 HA VAL A 84 -15.705 14.394 -18.068 1.00 62.42 H new ATOM 0 HB VAL A 84 -15.300 11.417 -18.573 1.00 25.44 H new ATOM 0 HG11 VAL A 84 -17.636 11.179 -17.834 1.00 62.02 H new ATOM 0 HG12 VAL A 84 -16.594 11.814 -16.538 1.00 62.02 H new ATOM 0 HG13 VAL A 84 -17.679 12.911 -17.426 1.00 62.02 H new ATOM 0 HG21 VAL A 84 -17.129 11.677 -20.200 1.00 45.24 H new ATOM 0 HG22 VAL A 84 -17.151 13.430 -19.889 1.00 45.24 H new ATOM 0 HG23 VAL A 84 -15.719 12.675 -20.627 1.00 45.24 H new ATOM 1326 N LEU A 85 -13.448 12.469 -16.624 1.00 4.30 N ATOM 1327 CA LEU A 85 -12.821 12.141 -15.348 1.00 43.10 C ATOM 1328 C LEU A 85 -12.315 13.400 -14.650 1.00 54.02 C ATOM 1329 O LEU A 85 -12.287 13.472 -13.422 1.00 14.14 O ATOM 1330 CB LEU A 85 -11.665 11.163 -15.562 1.00 52.22 C ATOM 1331 CG LEU A 85 -11.197 10.396 -14.325 1.00 61.14 C ATOM 1332 CD1 LEU A 85 -12.315 9.515 -13.788 1.00 52.42 C ATOM 1333 CD2 LEU A 85 -9.966 9.561 -14.648 1.00 12.42 C ATOM 0 H LEU A 85 -12.987 12.061 -17.437 1.00 4.30 H new ATOM 0 HA LEU A 85 -13.572 11.672 -14.712 1.00 43.10 H new ATOM 0 HB2 LEU A 85 -11.963 10.440 -16.322 1.00 52.22 H new ATOM 0 HB3 LEU A 85 -10.817 11.717 -15.964 1.00 52.22 H new ATOM 0 HG LEU A 85 -10.929 11.118 -13.554 1.00 61.14 H new ATOM 0 HD11 LEU A 85 -11.963 8.977 -12.908 1.00 52.42 H new ATOM 0 HD12 LEU A 85 -13.169 10.136 -13.517 1.00 52.42 H new ATOM 0 HD13 LEU A 85 -12.615 8.800 -14.554 1.00 52.42 H new ATOM 0 HD21 LEU A 85 -9.647 9.022 -13.756 1.00 12.42 H new ATOM 0 HD22 LEU A 85 -10.207 8.847 -15.436 1.00 12.42 H new ATOM 0 HD23 LEU A 85 -9.161 10.215 -14.984 1.00 12.42 H new ATOM 1345 N TYR A 86 -11.918 14.390 -15.443 1.00 23.51 N ATOM 1346 CA TYR A 86 -11.413 15.646 -14.902 1.00 65.33 C ATOM 1347 C TYR A 86 -12.510 16.397 -14.154 1.00 63.40 C ATOM 1348 O TYR A 86 -12.374 16.697 -12.967 1.00 21.12 O ATOM 1349 CB TYR A 86 -10.854 16.521 -16.024 1.00 41.01 C ATOM 1350 CG TYR A 86 -10.498 17.922 -15.580 1.00 62.21 C ATOM 1351 CD1 TYR A 86 -9.585 18.136 -14.555 1.00 73.34 C ATOM 1352 CD2 TYR A 86 -11.074 19.032 -16.187 1.00 35.55 C ATOM 1353 CE1 TYR A 86 -9.257 19.414 -14.145 1.00 15.42 C ATOM 1354 CE2 TYR A 86 -10.752 20.312 -15.784 1.00 52.42 C ATOM 1355 CZ TYR A 86 -9.843 20.499 -14.764 1.00 20.42 C ATOM 1356 OH TYR A 86 -9.519 21.774 -14.359 1.00 52.41 O ATOM 0 H TYR A 86 -11.936 14.346 -16.462 1.00 23.51 H new ATOM 0 HA TYR A 86 -10.613 15.414 -14.199 1.00 65.33 H new ATOM 0 HB2 TYR A 86 -9.966 16.043 -16.437 1.00 41.01 H new ATOM 0 HB3 TYR A 86 -11.588 16.579 -16.828 1.00 41.01 H new ATOM 0 HD1 TYR A 86 -9.123 17.288 -14.070 1.00 73.34 H new ATOM 0 HD2 TYR A 86 -11.785 18.890 -16.987 1.00 35.55 H new ATOM 0 HE1 TYR A 86 -8.547 19.563 -13.345 1.00 15.42 H new ATOM 0 HE2 TYR A 86 -11.210 21.164 -16.265 1.00 52.42 H new ATOM 0 HH TYR A 86 -10.018 22.425 -14.896 1.00 52.41 H new ATOM 1366 N CYS A 87 -13.596 16.697 -14.856 1.00 52.24 N ATOM 1367 CA CYS A 87 -14.718 17.413 -14.260 1.00 52.30 C ATOM 1368 C CYS A 87 -15.175 16.735 -12.973 1.00 4.40 C ATOM 1369 O CYS A 87 -15.675 17.389 -12.057 1.00 52.45 O ATOM 1370 CB CYS A 87 -15.882 17.493 -15.250 1.00 3.44 C ATOM 1371 SG CYS A 87 -15.873 18.977 -16.283 1.00 62.12 S ATOM 0 H CYS A 87 -13.724 16.456 -15.839 1.00 52.24 H new ATOM 0 HA CYS A 87 -14.385 18.422 -14.018 1.00 52.30 H new ATOM 0 HB2 CYS A 87 -15.857 16.615 -15.895 1.00 3.44 H new ATOM 0 HB3 CYS A 87 -16.820 17.455 -14.695 1.00 3.44 H new ATOM 0 HG CYS A 87 -17.094 19.296 -16.594 1.00 62.12 H new ATOM 1377 N VAL A 88 -15.000 15.420 -12.910 1.00 24.31 N ATOM 1378 CA VAL A 88 -15.393 14.651 -11.734 1.00 12.32 C ATOM 1379 C VAL A 88 -14.557 15.039 -10.519 1.00 73.15 C ATOM 1380 O VAL A 88 -15.062 15.098 -9.398 1.00 32.33 O ATOM 1381 CB VAL A 88 -15.252 13.138 -11.979 1.00 34.22 C ATOM 1382 CG1 VAL A 88 -15.642 12.356 -10.734 1.00 32.04 C ATOM 1383 CG2 VAL A 88 -16.096 12.711 -13.171 1.00 53.51 C ATOM 0 H VAL A 88 -14.589 14.864 -13.659 1.00 24.31 H new ATOM 0 HA VAL A 88 -16.440 14.883 -11.540 1.00 12.32 H new ATOM 0 HB VAL A 88 -14.208 12.920 -12.204 1.00 34.22 H new ATOM 0 HG11 VAL A 88 -15.536 11.288 -10.927 1.00 32.04 H new ATOM 0 HG12 VAL A 88 -14.993 12.642 -9.907 1.00 32.04 H new ATOM 0 HG13 VAL A 88 -16.678 12.577 -10.475 1.00 32.04 H new ATOM 0 HG21 VAL A 88 -15.985 11.638 -13.330 1.00 53.51 H new ATOM 0 HG22 VAL A 88 -17.143 12.942 -12.977 1.00 53.51 H new ATOM 0 HG23 VAL A 88 -15.765 13.246 -14.061 1.00 53.51 H new ATOM 1393 N HIS A 89 -13.275 15.302 -10.749 1.00 75.32 N ATOM 1394 CA HIS A 89 -12.366 15.684 -9.674 1.00 15.41 C ATOM 1395 C HIS A 89 -12.475 17.177 -9.379 1.00 24.30 C ATOM 1396 O HIS A 89 -12.001 17.579 -8.316 1.00 74.22 O ATOM 1397 CB HIS A 89 -10.926 15.330 -10.043 1.00 51.10 C ATOM 1398 CG HIS A 89 -10.690 13.857 -10.188 1.00 11.21 C ATOM 1399 ND1 HIS A 89 -11.306 12.914 -9.393 1.00 53.03 N ATOM 1400 CD2 HIS A 89 -9.900 13.167 -11.044 1.00 45.11 C ATOM 1401 CE1 HIS A 89 -10.904 11.709 -9.753 1.00 34.33 C ATOM 1402 NE2 HIS A 89 -10.051 11.834 -10.754 1.00 22.13 N ATOM 0 H HIS A 89 -12.841 15.258 -11.671 1.00 75.32 H new ATOM 0 HA HIS A 89 -12.649 15.131 -8.778 1.00 15.41 H new ATOM 0 HB2 HIS A 89 -10.667 15.825 -10.979 1.00 51.10 H new ATOM 0 HB3 HIS A 89 -10.256 15.724 -9.278 1.00 51.10 H new ATOM 0 HD1 HIS A 89 -11.968 13.116 -8.644 1.00 53.03 H new ATOM 0 HD2 HIS A 89 -9.268 13.587 -11.812 1.00 45.11 H new ATOM 0 HE1 HIS A 89 -11.219 10.778 -9.305 1.00 34.33 H new ATOM 0 HE2 HIS A 89 -9.581 11.066 -11.233 1.00 22.13 H new ATOM 1411 N GLN A 90 -13.066 17.980 -10.257 1.00 50.24 N ATOM 1412 CA GLN A 90 -13.192 19.414 -10.018 1.00 63.51 C ATOM 1413 C GLN A 90 -14.568 19.752 -9.454 1.00 43.05 C ATOM 1414 O GLN A 90 -15.053 20.873 -9.609 1.00 14.01 O ATOM 1415 CB GLN A 90 -12.952 20.191 -11.313 1.00 51.52 C ATOM 1416 CG GLN A 90 -11.506 20.163 -11.781 1.00 71.13 C ATOM 1417 CD GLN A 90 -10.838 21.521 -11.698 1.00 50.21 C ATOM 1418 OE1 GLN A 90 -9.800 21.677 -11.056 1.00 42.23 O ATOM 1419 NE2 GLN A 90 -11.433 22.514 -12.350 1.00 74.45 N ATOM 0 H GLN A 90 -13.465 17.663 -11.140 1.00 50.24 H new ATOM 0 HA GLN A 90 -12.439 19.703 -9.285 1.00 63.51 H new ATOM 0 HB2 GLN A 90 -13.587 19.779 -12.097 1.00 51.52 H new ATOM 0 HB3 GLN A 90 -13.258 21.227 -11.167 1.00 51.52 H new ATOM 0 HG2 GLN A 90 -10.946 19.450 -11.176 1.00 71.13 H new ATOM 0 HG3 GLN A 90 -11.468 19.806 -12.810 1.00 71.13 H new ATOM 0 HE21 GLN A 90 -12.293 22.340 -12.870 1.00 74.45 H new ATOM 0 HE22 GLN A 90 -11.030 23.451 -12.331 1.00 74.45 H new ATOM 1428 N ARG A 91 -15.191 18.777 -8.802 1.00 64.21 N ATOM 1429 CA ARG A 91 -16.511 18.971 -8.217 1.00 2.24 C ATOM 1430 C ARG A 91 -17.513 19.429 -9.274 1.00 70.52 C ATOM 1431 O ARG A 91 -18.502 20.091 -8.960 1.00 74.21 O ATOM 1432 CB ARG A 91 -16.446 19.999 -7.084 1.00 60.24 C ATOM 1433 CG ARG A 91 -15.747 19.484 -5.836 1.00 31.14 C ATOM 1434 CD ARG A 91 -16.135 20.293 -4.608 1.00 42.44 C ATOM 1435 NE ARG A 91 -15.358 21.525 -4.496 1.00 43.05 N ATOM 1436 CZ ARG A 91 -15.320 22.274 -3.400 1.00 24.51 C ATOM 1437 NH1 ARG A 91 -16.011 21.918 -2.326 1.00 22.44 N1+ ATOM 1438 NH2 ARG A 91 -14.589 23.380 -3.375 1.00 12.41 N ATOM 0 H ARG A 91 -14.802 17.844 -8.666 1.00 64.21 H new ATOM 0 HA ARG A 91 -16.844 18.015 -7.813 1.00 2.24 H new ATOM 0 HB2 ARG A 91 -15.927 20.888 -7.441 1.00 60.24 H new ATOM 0 HB3 ARG A 91 -17.459 20.305 -6.823 1.00 60.24 H new ATOM 0 HG2 ARG A 91 -16.004 18.436 -5.679 1.00 31.14 H new ATOM 0 HG3 ARG A 91 -14.667 19.530 -5.977 1.00 31.14 H new ATOM 0 HD2 ARG A 91 -17.196 20.537 -4.655 1.00 42.44 H new ATOM 0 HD3 ARG A 91 -15.986 19.688 -3.714 1.00 42.44 H new ATOM 0 HE ARG A 91 -14.814 21.827 -5.305 1.00 43.05 H new ATOM 0 HH11 ARG A 91 -16.573 21.067 -2.340 1.00 22.44 H new ATOM 0 HH12 ARG A 91 -15.980 22.495 -1.485 1.00 22.44 H new ATOM 0 HH21 ARG A 91 -14.055 23.657 -4.199 1.00 12.41 H new ATOM 0 HH22 ARG A 91 -14.561 23.954 -2.532 1.00 12.41 H new ATOM 1452 N ILE A 92 -17.248 19.070 -10.525 1.00 41.43 N ATOM 1453 CA ILE A 92 -18.125 19.442 -11.628 1.00 52.30 C ATOM 1454 C ILE A 92 -19.085 18.309 -11.974 1.00 3.30 C ATOM 1455 O ILE A 92 -18.693 17.144 -12.025 1.00 71.31 O ATOM 1456 CB ILE A 92 -17.320 19.820 -12.886 1.00 62.34 C ATOM 1457 CG1 ILE A 92 -16.210 20.811 -12.529 1.00 14.43 C ATOM 1458 CG2 ILE A 92 -18.239 20.404 -13.948 1.00 5.22 C ATOM 1459 CD1 ILE A 92 -15.363 21.222 -13.713 1.00 31.31 C ATOM 0 H ILE A 92 -16.433 18.522 -10.800 1.00 41.43 H new ATOM 0 HA ILE A 92 -18.695 20.310 -11.297 1.00 52.30 H new ATOM 0 HB ILE A 92 -16.860 18.918 -13.289 1.00 62.34 H new ATOM 0 HG12 ILE A 92 -16.657 21.701 -12.086 1.00 14.43 H new ATOM 0 HG13 ILE A 92 -15.567 20.366 -11.770 1.00 14.43 H new ATOM 0 HG21 ILE A 92 -17.655 20.666 -14.830 1.00 5.22 H new ATOM 0 HG22 ILE A 92 -18.996 19.668 -14.219 1.00 5.22 H new ATOM 0 HG23 ILE A 92 -18.726 21.297 -13.557 1.00 5.22 H new ATOM 0 HD11 ILE A 92 -14.597 21.925 -13.386 1.00 31.31 H new ATOM 0 HD12 ILE A 92 -14.887 20.341 -14.143 1.00 31.31 H new ATOM 0 HD13 ILE A 92 -15.994 21.697 -14.464 1.00 31.31 H new ATOM 1471 N ASP A 93 -20.344 18.660 -12.212 1.00 41.33 N ATOM 1472 CA ASP A 93 -21.361 17.672 -12.556 1.00 53.43 C ATOM 1473 C ASP A 93 -21.793 17.824 -14.011 1.00 75.45 C ATOM 1474 O ASP A 93 -22.473 18.784 -14.372 1.00 31.42 O ATOM 1475 CB ASP A 93 -22.572 17.815 -11.634 1.00 33.42 C ATOM 1476 CG ASP A 93 -22.348 17.169 -10.280 1.00 45.51 C ATOM 1477 OD1 ASP A 93 -21.304 17.451 -9.655 1.00 23.41 O ATOM 1478 OD2 ASP A 93 -23.216 16.385 -9.846 1.00 1.21 O1- ATOM 0 H ASP A 93 -20.685 19.621 -12.173 1.00 41.33 H new ATOM 0 HA ASP A 93 -20.930 16.680 -12.425 1.00 53.43 H new ATOM 0 HB2 ASP A 93 -22.797 18.873 -11.496 1.00 33.42 H new ATOM 0 HB3 ASP A 93 -23.443 17.363 -12.109 1.00 33.42 H new ATOM 1483 N VAL A 94 -21.393 16.867 -14.844 1.00 1.23 N ATOM 1484 CA VAL A 94 -21.739 16.893 -16.260 1.00 53.10 C ATOM 1485 C VAL A 94 -22.656 15.730 -16.623 1.00 53.23 C ATOM 1486 O VAL A 94 -22.658 14.696 -15.956 1.00 34.30 O ATOM 1487 CB VAL A 94 -20.481 16.836 -17.146 1.00 55.32 C ATOM 1488 CG1 VAL A 94 -19.741 18.165 -17.111 1.00 12.35 C ATOM 1489 CG2 VAL A 94 -19.571 15.699 -16.707 1.00 72.15 C ATOM 0 H VAL A 94 -20.829 16.065 -14.562 1.00 1.23 H new ATOM 0 HA VAL A 94 -22.260 17.833 -16.441 1.00 53.10 H new ATOM 0 HB VAL A 94 -20.791 16.647 -18.174 1.00 55.32 H new ATOM 0 HG11 VAL A 94 -18.855 18.105 -17.743 1.00 12.35 H new ATOM 0 HG12 VAL A 94 -20.396 18.956 -17.478 1.00 12.35 H new ATOM 0 HG13 VAL A 94 -19.442 18.388 -16.087 1.00 12.35 H new ATOM 0 HG21 VAL A 94 -18.687 15.674 -17.344 1.00 72.15 H new ATOM 0 HG22 VAL A 94 -19.268 15.855 -15.672 1.00 72.15 H new ATOM 0 HG23 VAL A 94 -20.105 14.753 -16.790 1.00 72.15 H new ATOM 1499 N LYS A 95 -23.434 15.907 -17.685 1.00 34.13 N ATOM 1500 CA LYS A 95 -24.355 14.873 -18.140 1.00 11.05 C ATOM 1501 C LYS A 95 -23.716 14.013 -19.225 1.00 62.51 C ATOM 1502 O LYS A 95 -24.004 12.821 -19.336 1.00 60.43 O ATOM 1503 CB LYS A 95 -25.644 15.506 -18.670 1.00 61.54 C ATOM 1504 CG LYS A 95 -26.690 15.747 -17.597 1.00 4.44 C ATOM 1505 CD LYS A 95 -26.570 17.142 -17.006 1.00 20.02 C ATOM 1506 CE LYS A 95 -27.773 17.486 -16.140 1.00 32.50 C ATOM 1507 NZ LYS A 95 -27.514 17.213 -14.698 1.00 54.20 N1+ ATOM 0 H LYS A 95 -23.445 16.758 -18.247 1.00 34.13 H new ATOM 0 HA LYS A 95 -24.593 14.235 -17.289 1.00 11.05 H new ATOM 0 HB2 LYS A 95 -25.402 16.455 -19.149 1.00 61.54 H new ATOM 0 HB3 LYS A 95 -26.067 14.859 -19.439 1.00 61.54 H new ATOM 0 HG2 LYS A 95 -27.685 15.615 -18.021 1.00 4.44 H new ATOM 0 HG3 LYS A 95 -26.579 15.005 -16.806 1.00 4.44 H new ATOM 0 HD2 LYS A 95 -25.660 17.209 -16.410 1.00 20.02 H new ATOM 0 HD3 LYS A 95 -26.478 17.872 -17.810 1.00 20.02 H new ATOM 0 HE2 LYS A 95 -28.026 18.538 -16.271 1.00 32.50 H new ATOM 0 HE3 LYS A 95 -28.636 16.907 -16.470 1.00 32.50 H new ATOM 0 HZ1 LYS A 95 -28.357 17.460 -14.141 1.00 54.20 H new ATOM 0 HZ2 LYS A 95 -27.297 16.204 -14.569 1.00 54.20 H new ATOM 0 HZ3 LYS A 95 -26.707 17.784 -14.376 1.00 54.20 H new ATOM 1521 N ASP A 96 -22.845 14.623 -20.021 1.00 23.33 N ATOM 1522 CA ASP A 96 -22.162 13.912 -21.095 1.00 51.11 C ATOM 1523 C ASP A 96 -20.747 14.450 -21.289 1.00 74.50 C ATOM 1524 O ASP A 96 -20.394 15.503 -20.760 1.00 24.11 O ATOM 1525 CB ASP A 96 -22.951 14.035 -22.399 1.00 51.22 C ATOM 1526 CG ASP A 96 -23.490 15.436 -22.620 1.00 62.51 C ATOM 1527 OD1 ASP A 96 -22.673 16.374 -22.732 1.00 15.35 O ATOM 1528 OD2 ASP A 96 -24.727 15.591 -22.681 1.00 32.24 O1- ATOM 0 H ASP A 96 -22.595 15.609 -19.943 1.00 23.33 H new ATOM 0 HA ASP A 96 -22.096 12.860 -20.817 1.00 51.11 H new ATOM 0 HB2 ASP A 96 -22.309 13.760 -23.236 1.00 51.22 H new ATOM 0 HB3 ASP A 96 -23.780 13.328 -22.387 1.00 51.22 H new ATOM 1533 N THR A 97 -19.941 13.717 -22.051 1.00 41.24 N ATOM 1534 CA THR A 97 -18.564 14.119 -22.313 1.00 71.41 C ATOM 1535 C THR A 97 -18.500 15.542 -22.853 1.00 73.11 C ATOM 1536 O THR A 97 -17.706 16.359 -22.386 1.00 40.33 O ATOM 1537 CB THR A 97 -17.884 13.169 -23.317 1.00 65.13 C ATOM 1538 OG1 THR A 97 -17.871 11.834 -22.798 1.00 10.10 O ATOM 1539 CG2 THR A 97 -16.459 13.619 -23.608 1.00 14.43 C ATOM 0 H THR A 97 -20.218 12.843 -22.497 1.00 41.24 H new ATOM 0 HA THR A 97 -18.034 14.071 -21.362 1.00 71.41 H new ATOM 0 HB THR A 97 -18.453 13.191 -24.247 1.00 65.13 H new ATOM 0 HG1 THR A 97 -17.964 11.195 -23.536 1.00 10.10 H new ATOM 0 HG21 THR A 97 -15.999 12.933 -24.319 1.00 14.43 H new ATOM 0 HG22 THR A 97 -16.474 14.624 -24.030 1.00 14.43 H new ATOM 0 HG23 THR A 97 -15.883 13.623 -22.683 1.00 14.43 H new ATOM 1547 N LYS A 98 -19.340 15.834 -23.840 1.00 32.13 N ATOM 1548 CA LYS A 98 -19.382 17.161 -24.443 1.00 75.02 C ATOM 1549 C LYS A 98 -19.533 18.240 -23.375 1.00 73.14 C ATOM 1550 O LYS A 98 -18.831 19.251 -23.399 1.00 74.02 O ATOM 1551 CB LYS A 98 -20.536 17.253 -25.443 1.00 34.12 C ATOM 1552 CG LYS A 98 -20.111 17.732 -26.820 1.00 11.00 C ATOM 1553 CD LYS A 98 -19.362 16.650 -27.581 1.00 33.02 C ATOM 1554 CE LYS A 98 -18.441 17.246 -28.635 1.00 32.31 C ATOM 1555 NZ LYS A 98 -19.202 17.946 -29.706 1.00 34.13 N1+ ATOM 0 H LYS A 98 -20.002 15.169 -24.240 1.00 32.13 H new ATOM 0 HA LYS A 98 -18.441 17.324 -24.968 1.00 75.02 H new ATOM 0 HB2 LYS A 98 -21.003 16.273 -25.537 1.00 34.12 H new ATOM 0 HB3 LYS A 98 -21.293 17.931 -25.050 1.00 34.12 H new ATOM 0 HG2 LYS A 98 -20.990 18.035 -27.388 1.00 11.00 H new ATOM 0 HG3 LYS A 98 -19.477 18.613 -26.720 1.00 11.00 H new ATOM 0 HD2 LYS A 98 -18.778 16.051 -26.883 1.00 33.02 H new ATOM 0 HD3 LYS A 98 -20.076 15.978 -28.058 1.00 33.02 H new ATOM 0 HE2 LYS A 98 -17.753 17.946 -28.162 1.00 32.31 H new ATOM 0 HE3 LYS A 98 -17.836 16.455 -29.078 1.00 32.31 H new ATOM 0 HZ1 LYS A 98 -18.540 18.308 -30.422 1.00 34.13 H new ATOM 0 HZ2 LYS A 98 -19.865 17.280 -30.153 1.00 34.13 H new ATOM 0 HZ3 LYS A 98 -19.733 18.739 -29.293 1.00 34.13 H new ATOM 1569 N GLU A 99 -20.451 18.017 -22.441 1.00 20.31 N ATOM 1570 CA GLU A 99 -20.692 18.971 -21.364 1.00 52.53 C ATOM 1571 C GLU A 99 -19.413 19.236 -20.576 1.00 11.40 C ATOM 1572 O GLU A 99 -19.159 20.361 -20.145 1.00 11.44 O ATOM 1573 CB GLU A 99 -21.783 18.451 -20.426 1.00 73.14 C ATOM 1574 CG GLU A 99 -22.338 19.511 -19.491 1.00 2.24 C ATOM 1575 CD GLU A 99 -23.817 19.767 -19.711 1.00 44.42 C ATOM 1576 OE1 GLU A 99 -24.563 18.790 -19.928 1.00 5.23 O1- ATOM 1577 OE2 GLU A 99 -24.227 20.946 -19.665 1.00 31.13 O ATOM 0 H GLU A 99 -21.040 17.185 -22.408 1.00 20.31 H new ATOM 0 HA GLU A 99 -21.024 19.908 -21.811 1.00 52.53 H new ATOM 0 HB2 GLU A 99 -22.598 18.042 -21.023 1.00 73.14 H new ATOM 0 HB3 GLU A 99 -21.379 17.631 -19.833 1.00 73.14 H new ATOM 0 HG2 GLU A 99 -22.177 19.200 -18.459 1.00 2.24 H new ATOM 0 HG3 GLU A 99 -21.787 20.441 -19.634 1.00 2.24 H new ATOM 1584 N ALA A 100 -18.610 18.193 -20.392 1.00 35.11 N ATOM 1585 CA ALA A 100 -17.358 18.313 -19.658 1.00 42.42 C ATOM 1586 C ALA A 100 -16.302 19.038 -20.486 1.00 14.52 C ATOM 1587 O ALA A 100 -15.648 19.965 -20.005 1.00 20.52 O ATOM 1588 CB ALA A 100 -16.853 16.938 -19.245 1.00 13.10 C ATOM 0 H ALA A 100 -18.805 17.255 -20.742 1.00 35.11 H new ATOM 0 HA ALA A 100 -17.548 18.903 -18.762 1.00 42.42 H new ATOM 0 HB1 ALA A 100 -15.917 17.044 -18.697 1.00 13.10 H new ATOM 0 HB2 ALA A 100 -17.594 16.455 -18.608 1.00 13.10 H new ATOM 0 HB3 ALA A 100 -16.687 16.329 -20.134 1.00 13.10 H new ATOM 1594 N LEU A 101 -16.142 18.612 -21.734 1.00 13.12 N ATOM 1595 CA LEU A 101 -15.166 19.221 -22.631 1.00 63.03 C ATOM 1596 C LEU A 101 -15.418 20.719 -22.776 1.00 31.12 C ATOM 1597 O LEU A 101 -14.483 21.503 -22.943 1.00 14.11 O ATOM 1598 CB LEU A 101 -15.215 18.550 -24.004 1.00 34.32 C ATOM 1599 CG LEU A 101 -15.145 17.021 -24.007 1.00 41.52 C ATOM 1600 CD1 LEU A 101 -16.004 16.449 -25.124 1.00 1.53 C ATOM 1601 CD2 LEU A 101 -13.704 16.555 -24.148 1.00 63.54 C ATOM 0 H LEU A 101 -16.675 17.847 -22.148 1.00 13.12 H new ATOM 0 HA LEU A 101 -14.176 19.078 -22.199 1.00 63.03 H new ATOM 0 HB2 LEU A 101 -16.136 18.853 -24.501 1.00 34.32 H new ATOM 0 HB3 LEU A 101 -14.389 18.933 -24.603 1.00 34.32 H new ATOM 0 HG LEU A 101 -15.533 16.656 -23.056 1.00 41.52 H new ATOM 0 HD11 LEU A 101 -15.942 15.361 -25.110 1.00 1.53 H new ATOM 0 HD12 LEU A 101 -17.040 16.755 -24.979 1.00 1.53 H new ATOM 0 HD13 LEU A 101 -15.647 16.821 -26.084 1.00 1.53 H new ATOM 0 HD21 LEU A 101 -13.672 15.465 -24.148 1.00 63.54 H new ATOM 0 HD22 LEU A 101 -13.290 16.930 -25.084 1.00 63.54 H new ATOM 0 HD23 LEU A 101 -13.115 16.935 -23.313 1.00 63.54 H new ATOM 1613 N ASP A 102 -16.686 21.109 -22.708 1.00 24.22 N ATOM 1614 CA ASP A 102 -17.062 22.512 -22.828 1.00 62.12 C ATOM 1615 C ASP A 102 -16.490 23.329 -21.673 1.00 31.51 C ATOM 1616 O ASP A 102 -15.971 24.427 -21.872 1.00 43.15 O ATOM 1617 CB ASP A 102 -18.585 22.654 -22.863 1.00 64.31 C ATOM 1618 CG ASP A 102 -19.030 24.101 -22.928 1.00 53.20 C ATOM 1619 OD1 ASP A 102 -18.518 24.841 -23.795 1.00 10.15 O ATOM 1620 OD2 ASP A 102 -19.892 24.493 -22.115 1.00 2.24 O1- ATOM 0 H ASP A 102 -17.471 20.473 -22.570 1.00 24.22 H new ATOM 0 HA ASP A 102 -16.648 22.894 -23.761 1.00 62.12 H new ATOM 0 HB2 ASP A 102 -18.977 22.117 -23.727 1.00 64.31 H new ATOM 0 HB3 ASP A 102 -19.011 22.185 -21.976 1.00 64.31 H new ATOM 1625 N LYS A 103 -16.589 22.786 -20.464 1.00 75.54 N ATOM 1626 CA LYS A 103 -16.082 23.462 -19.277 1.00 62.31 C ATOM 1627 C LYS A 103 -14.560 23.555 -19.313 1.00 3.12 C ATOM 1628 O LYS A 103 -13.970 24.454 -18.713 1.00 54.51 O ATOM 1629 CB LYS A 103 -16.529 22.722 -18.014 1.00 2.24 C ATOM 1630 CG LYS A 103 -17.633 23.435 -17.251 1.00 61.43 C ATOM 1631 CD LYS A 103 -17.077 24.240 -16.088 1.00 70.13 C ATOM 1632 CE LYS A 103 -18.123 25.180 -15.511 1.00 12.23 C ATOM 1633 NZ LYS A 103 -18.397 26.329 -16.418 1.00 14.22 N1+ ATOM 0 H LYS A 103 -17.017 21.878 -20.281 1.00 75.54 H new ATOM 0 HA LYS A 103 -16.490 24.473 -19.262 1.00 62.31 H new ATOM 0 HB2 LYS A 103 -16.874 21.725 -18.290 1.00 2.24 H new ATOM 0 HB3 LYS A 103 -15.670 22.591 -17.356 1.00 2.24 H new ATOM 0 HG2 LYS A 103 -18.175 24.097 -17.927 1.00 61.43 H new ATOM 0 HG3 LYS A 103 -18.350 22.703 -16.878 1.00 61.43 H new ATOM 0 HD2 LYS A 103 -16.726 23.562 -15.310 1.00 70.13 H new ATOM 0 HD3 LYS A 103 -16.214 24.816 -16.422 1.00 70.13 H new ATOM 0 HE2 LYS A 103 -19.047 24.630 -15.333 1.00 12.23 H new ATOM 0 HE3 LYS A 103 -17.783 25.553 -14.545 1.00 12.23 H new ATOM 0 HZ1 LYS A 103 -18.939 27.054 -15.906 1.00 14.22 H new ATOM 0 HZ2 LYS A 103 -17.497 26.736 -16.744 1.00 14.22 H new ATOM 0 HZ3 LYS A 103 -18.946 26.001 -17.238 1.00 14.22 H new ATOM 1647 N ILE A 104 -13.931 22.622 -20.018 1.00 64.44 N ATOM 1648 CA ILE A 104 -12.478 22.601 -20.133 1.00 62.33 C ATOM 1649 C ILE A 104 -11.999 23.544 -21.232 1.00 33.34 C ATOM 1650 O ILE A 104 -10.887 24.067 -21.174 1.00 21.20 O ATOM 1651 CB ILE A 104 -11.956 21.182 -20.428 1.00 21.42 C ATOM 1652 CG1 ILE A 104 -12.395 20.215 -19.326 1.00 15.42 C ATOM 1653 CG2 ILE A 104 -10.441 21.191 -20.558 1.00 65.02 C ATOM 1654 CD1 ILE A 104 -12.301 18.760 -19.727 1.00 33.12 C ATOM 0 H ILE A 104 -14.405 21.870 -20.519 1.00 64.44 H new ATOM 0 HA ILE A 104 -12.082 22.933 -19.173 1.00 62.33 H new ATOM 0 HB ILE A 104 -12.380 20.844 -21.374 1.00 21.42 H new ATOM 0 HG12 ILE A 104 -11.779 20.380 -18.442 1.00 15.42 H new ATOM 0 HG13 ILE A 104 -13.424 20.440 -19.045 1.00 15.42 H new ATOM 0 HG21 ILE A 104 -10.088 20.181 -20.766 1.00 65.02 H new ATOM 0 HG22 ILE A 104 -10.150 21.853 -21.374 1.00 65.02 H new ATOM 0 HG23 ILE A 104 -9.998 21.546 -19.627 1.00 65.02 H new ATOM 0 HD11 ILE A 104 -12.628 18.132 -18.898 1.00 33.12 H new ATOM 0 HD12 ILE A 104 -12.939 18.579 -20.592 1.00 33.12 H new ATOM 0 HD13 ILE A 104 -11.269 18.518 -19.980 1.00 33.12 H new ATOM 1666 N GLU A 105 -12.850 23.758 -22.231 1.00 53.23 N ATOM 1667 CA GLU A 105 -12.513 24.640 -23.343 1.00 35.13 C ATOM 1668 C GLU A 105 -12.597 26.104 -22.921 1.00 4.40 C ATOM 1669 O GLU A 105 -11.790 26.930 -23.346 1.00 41.13 O ATOM 1670 CB GLU A 105 -13.450 24.386 -24.526 1.00 34.04 C ATOM 1671 CG GLU A 105 -13.009 25.069 -25.810 1.00 23.41 C ATOM 1672 CD GLU A 105 -12.797 24.089 -26.948 1.00 14.42 C ATOM 1673 OE1 GLU A 105 -13.788 23.746 -27.626 1.00 35.34 O ATOM 1674 OE2 GLU A 105 -11.641 23.667 -27.161 1.00 33.13 O1- ATOM 0 H GLU A 105 -13.776 23.334 -22.293 1.00 53.23 H new ATOM 0 HA GLU A 105 -11.488 24.425 -23.646 1.00 35.13 H new ATOM 0 HB2 GLU A 105 -13.518 23.312 -24.701 1.00 34.04 H new ATOM 0 HB3 GLU A 105 -14.451 24.731 -24.266 1.00 34.04 H new ATOM 0 HG2 GLU A 105 -13.759 25.803 -26.103 1.00 23.41 H new ATOM 0 HG3 GLU A 105 -12.083 25.614 -25.628 1.00 23.41 H new ATOM 1681 N GLU A 106 -13.579 26.417 -22.081 1.00 3.53 N ATOM 1682 CA GLU A 106 -13.768 27.782 -21.602 1.00 72.32 C ATOM 1683 C GLU A 106 -12.663 28.173 -20.625 1.00 24.22 C ATOM 1684 O GLU A 106 -12.067 29.243 -20.743 1.00 12.22 O ATOM 1685 CB GLU A 106 -15.134 27.924 -20.928 1.00 54.13 C ATOM 1686 CG GLU A 106 -16.202 28.508 -21.837 1.00 13.34 C ATOM 1687 CD GLU A 106 -17.311 29.199 -21.066 1.00 34.50 C ATOM 1688 OE1 GLU A 106 -17.079 30.320 -20.569 1.00 10.21 O1- ATOM 1689 OE2 GLU A 106 -18.411 28.617 -20.960 1.00 65.13 O ATOM 0 H GLU A 106 -14.255 25.745 -21.718 1.00 3.53 H new ATOM 0 HA GLU A 106 -13.723 28.452 -22.461 1.00 72.32 H new ATOM 0 HB2 GLU A 106 -15.461 26.945 -20.579 1.00 54.13 H new ATOM 0 HB3 GLU A 106 -15.031 28.558 -20.047 1.00 54.13 H new ATOM 0 HG2 GLU A 106 -15.741 29.221 -22.521 1.00 13.34 H new ATOM 0 HG3 GLU A 106 -16.630 27.712 -22.447 1.00 13.34 H new ATOM 1696 N GLU A 107 -12.397 27.299 -19.660 1.00 23.32 N ATOM 1697 CA GLU A 107 -11.366 27.553 -18.661 1.00 52.44 C ATOM 1698 C GLU A 107 -10.036 27.895 -19.328 1.00 32.42 C ATOM 1699 O GLU A 107 -9.270 28.715 -18.823 1.00 41.55 O ATOM 1700 CB GLU A 107 -11.195 26.337 -17.750 1.00 70.43 C ATOM 1701 CG GLU A 107 -11.094 26.690 -16.275 1.00 14.02 C ATOM 1702 CD GLU A 107 -12.310 26.245 -15.485 1.00 44.53 C ATOM 1703 OE1 GLU A 107 -13.406 26.163 -16.077 1.00 63.04 O1- ATOM 1704 OE2 GLU A 107 -12.164 25.978 -14.274 1.00 2.50 O ATOM 0 H GLU A 107 -12.881 26.408 -19.549 1.00 23.32 H new ATOM 0 HA GLU A 107 -11.681 28.405 -18.059 1.00 52.44 H new ATOM 0 HB2 GLU A 107 -12.039 25.662 -17.896 1.00 70.43 H new ATOM 0 HB3 GLU A 107 -10.298 25.794 -18.047 1.00 70.43 H new ATOM 0 HG2 GLU A 107 -10.202 26.226 -15.854 1.00 14.02 H new ATOM 0 HG3 GLU A 107 -10.972 27.768 -16.171 1.00 14.02 H new ATOM 1711 N GLN A 108 -9.770 27.258 -20.465 1.00 23.45 N ATOM 1712 CA GLN A 108 -8.532 27.492 -21.199 1.00 11.41 C ATOM 1713 C GLN A 108 -8.570 28.840 -21.912 1.00 40.52 C ATOM 1714 O GLN A 108 -7.637 29.636 -21.805 1.00 32.43 O ATOM 1715 CB GLN A 108 -8.297 26.372 -22.214 1.00 63.10 C ATOM 1716 CG GLN A 108 -6.845 25.929 -22.304 1.00 21.22 C ATOM 1717 CD GLN A 108 -6.528 24.775 -21.374 1.00 13.23 C ATOM 1718 OE1 GLN A 108 -7.402 24.279 -20.662 1.00 63.14 O ATOM 1719 NE2 GLN A 108 -5.274 24.340 -21.375 1.00 73.04 N ATOM 0 H GLN A 108 -10.395 26.577 -20.897 1.00 23.45 H new ATOM 0 HA GLN A 108 -7.710 27.502 -20.483 1.00 11.41 H new ATOM 0 HB2 GLN A 108 -8.914 25.514 -21.946 1.00 63.10 H new ATOM 0 HB3 GLN A 108 -8.628 26.708 -23.197 1.00 63.10 H new ATOM 0 HG2 GLN A 108 -6.622 25.636 -23.330 1.00 21.22 H new ATOM 0 HG3 GLN A 108 -6.197 26.772 -22.065 1.00 21.22 H new ATOM 0 HE21 GLN A 108 -4.582 24.780 -21.981 1.00 73.04 H new ATOM 0 HE22 GLN A 108 -5.002 23.565 -20.770 1.00 73.04 H new ATOM 1728 N ASN A 109 -9.653 29.089 -22.639 1.00 12.33 N ATOM 1729 CA ASN A 109 -9.812 30.341 -23.370 1.00 13.41 C ATOM 1730 C ASN A 109 -9.702 31.538 -22.431 1.00 53.12 C ATOM 1731 O ASN A 109 -9.327 32.635 -22.845 1.00 42.13 O ATOM 1732 CB ASN A 109 -11.161 30.367 -24.092 1.00 50.32 C ATOM 1733 CG ASN A 109 -11.152 31.282 -25.302 1.00 4.14 C ATOM 1734 OD1 ASN A 109 -10.231 32.078 -25.485 1.00 72.12 O ATOM 1735 ND2 ASN A 109 -12.181 31.172 -26.134 1.00 71.10 N ATOM 0 H ASN A 109 -10.434 28.441 -22.738 1.00 12.33 H new ATOM 0 HA ASN A 109 -9.012 30.406 -24.107 1.00 13.41 H new ATOM 0 HB2 ASN A 109 -11.421 29.356 -24.406 1.00 50.32 H new ATOM 0 HB3 ASN A 109 -11.935 30.694 -23.398 1.00 50.32 H new ATOM 0 HD21 ASN A 109 -12.230 31.762 -26.965 1.00 71.10 H new ATOM 0 HD22 ASN A 109 -12.922 30.498 -25.942 1.00 71.10 H new ATOM 1742 N LYS A 110 -10.033 31.320 -21.162 1.00 73.24 N ATOM 1743 CA LYS A 110 -9.970 32.379 -20.162 1.00 21.31 C ATOM 1744 C LYS A 110 -8.533 32.614 -19.708 1.00 62.04 C ATOM 1745 O LYS A 110 -8.162 33.730 -19.346 1.00 5.20 O ATOM 1746 CB LYS A 110 -10.845 32.022 -18.958 1.00 45.31 C ATOM 1747 CG LYS A 110 -12.134 32.824 -18.884 1.00 64.55 C ATOM 1748 CD LYS A 110 -12.307 33.478 -17.524 1.00 22.43 C ATOM 1749 CE LYS A 110 -12.920 32.515 -16.517 1.00 44.45 C ATOM 1750 NZ LYS A 110 -12.002 32.251 -15.374 1.00 1.24 N1+ ATOM 0 H LYS A 110 -10.348 30.419 -20.802 1.00 73.24 H new ATOM 0 HA LYS A 110 -10.343 33.297 -20.616 1.00 21.31 H new ATOM 0 HB2 LYS A 110 -11.089 30.960 -18.999 1.00 45.31 H new ATOM 0 HB3 LYS A 110 -10.274 32.183 -18.044 1.00 45.31 H new ATOM 0 HG2 LYS A 110 -12.132 33.590 -19.659 1.00 64.55 H new ATOM 0 HG3 LYS A 110 -12.982 32.170 -19.085 1.00 64.55 H new ATOM 0 HD2 LYS A 110 -11.339 33.821 -17.158 1.00 22.43 H new ATOM 0 HD3 LYS A 110 -12.942 34.359 -17.620 1.00 22.43 H new ATOM 0 HE2 LYS A 110 -13.857 32.928 -16.143 1.00 44.45 H new ATOM 0 HE3 LYS A 110 -13.162 31.575 -17.013 1.00 44.45 H new ATOM 0 HZ1 LYS A 110 -12.455 31.591 -14.710 1.00 1.24 H new ATOM 0 HZ2 LYS A 110 -11.118 31.833 -15.728 1.00 1.24 H new ATOM 0 HZ3 LYS A 110 -11.791 33.144 -14.885 1.00 1.24 H new ATOM 1764 N SER A 111 -7.729 31.556 -19.732 1.00 63.23 N ATOM 1765 CA SER A 111 -6.333 31.647 -19.320 1.00 11.23 C ATOM 1766 C SER A 111 -5.516 32.432 -20.342 1.00 43.11 C ATOM 1767 O SER A 111 -4.514 33.062 -20.002 1.00 32.40 O ATOM 1768 CB SER A 111 -5.739 30.249 -19.142 1.00 60.51 C ATOM 1769 OG SER A 111 -4.665 30.264 -18.218 1.00 23.12 O ATOM 0 H SER A 111 -8.020 30.626 -20.032 1.00 63.23 H new ATOM 0 HA SER A 111 -6.295 32.174 -18.367 1.00 11.23 H new ATOM 0 HB2 SER A 111 -6.512 29.564 -18.794 1.00 60.51 H new ATOM 0 HB3 SER A 111 -5.390 29.874 -20.104 1.00 60.51 H new ATOM 0 HG SER A 111 -4.304 29.358 -18.121 1.00 23.12 H new ATOM 1775 N LYS A 112 -5.951 32.390 -21.596 1.00 13.23 N ATOM 1776 CA LYS A 112 -5.263 33.097 -22.670 1.00 62.11 C ATOM 1777 C LYS A 112 -5.668 34.567 -22.700 1.00 2.15 C ATOM 1778 O LYS A 112 -4.870 35.435 -23.058 1.00 75.50 O ATOM 1779 CB LYS A 112 -5.572 32.444 -24.019 1.00 12.11 C ATOM 1780 CG LYS A 112 -5.113 31.000 -24.116 1.00 24.01 C ATOM 1781 CD LYS A 112 -3.816 30.878 -24.899 1.00 22.21 C ATOM 1782 CE LYS A 112 -3.221 29.483 -24.778 1.00 44.10 C ATOM 1783 NZ LYS A 112 -1.777 29.526 -24.414 1.00 14.10 N1+ ATOM 0 H LYS A 112 -6.778 31.873 -21.894 1.00 13.23 H new ATOM 0 HA LYS A 112 -4.191 33.037 -22.482 1.00 62.11 H new ATOM 0 HB2 LYS A 112 -6.647 32.487 -24.196 1.00 12.11 H new ATOM 0 HB3 LYS A 112 -5.095 33.022 -24.810 1.00 12.11 H new ATOM 0 HG2 LYS A 112 -4.974 30.594 -23.114 1.00 24.01 H new ATOM 0 HG3 LYS A 112 -5.887 30.403 -24.598 1.00 24.01 H new ATOM 0 HD2 LYS A 112 -4.001 31.106 -25.949 1.00 22.21 H new ATOM 0 HD3 LYS A 112 -3.099 31.613 -24.534 1.00 22.21 H new ATOM 0 HE2 LYS A 112 -3.769 28.918 -24.024 1.00 44.10 H new ATOM 0 HE3 LYS A 112 -3.342 28.953 -25.723 1.00 44.10 H new ATOM 0 HZ1 LYS A 112 -1.408 28.556 -24.341 1.00 14.10 H new ATOM 0 HZ2 LYS A 112 -1.250 30.043 -25.146 1.00 14.10 H new ATOM 0 HZ3 LYS A 112 -1.664 30.009 -23.500 1.00 14.10 H new ATOM 1797 N LYS A 113 -6.911 34.841 -22.320 1.00 50.21 N ATOM 1798 CA LYS A 113 -7.422 36.208 -22.300 1.00 32.42 C ATOM 1799 C LYS A 113 -6.882 36.973 -21.097 1.00 44.45 C ATOM 1800 O LYS A 113 -6.363 38.082 -21.236 1.00 62.35 O ATOM 1801 CB LYS A 113 -8.952 36.201 -22.268 1.00 73.23 C ATOM 1802 CG LYS A 113 -9.583 37.288 -23.122 1.00 62.31 C ATOM 1803 CD LYS A 113 -11.075 37.062 -23.298 1.00 50.14 C ATOM 1804 CE LYS A 113 -11.364 36.140 -24.474 1.00 24.51 C ATOM 1805 NZ LYS A 113 -12.694 35.483 -24.349 1.00 50.10 N1+ ATOM 0 H LYS A 113 -7.584 34.135 -22.021 1.00 50.21 H new ATOM 0 HA LYS A 113 -7.085 36.709 -23.208 1.00 32.42 H new ATOM 0 HB2 LYS A 113 -9.310 35.229 -22.609 1.00 73.23 H new ATOM 0 HB3 LYS A 113 -9.286 36.320 -21.237 1.00 73.23 H new ATOM 0 HG2 LYS A 113 -9.413 38.260 -22.659 1.00 62.31 H new ATOM 0 HG3 LYS A 113 -9.100 37.311 -24.099 1.00 62.31 H new ATOM 0 HD2 LYS A 113 -11.489 36.631 -22.386 1.00 50.14 H new ATOM 0 HD3 LYS A 113 -11.573 38.019 -23.453 1.00 50.14 H new ATOM 0 HE2 LYS A 113 -11.327 36.712 -25.401 1.00 24.51 H new ATOM 0 HE3 LYS A 113 -10.587 35.378 -24.538 1.00 24.51 H new ATOM 0 HZ1 LYS A 113 -12.854 34.863 -25.169 1.00 50.10 H new ATOM 0 HZ2 LYS A 113 -12.721 34.917 -23.477 1.00 50.10 H new ATOM 0 HZ3 LYS A 113 -13.438 36.209 -24.314 1.00 50.10 H new ATOM 1819 N LYS A 114 -7.004 36.375 -19.917 1.00 23.10 N ATOM 1820 CA LYS A 114 -6.524 37.000 -18.689 1.00 35.34 C ATOM 1821 C LYS A 114 -5.036 37.319 -18.786 1.00 31.52 C ATOM 1822 O LYS A 114 -4.558 38.280 -18.186 1.00 1.13 O ATOM 1823 CB LYS A 114 -6.784 36.082 -17.492 1.00 40.44 C ATOM 1824 CG LYS A 114 -6.395 36.697 -16.159 1.00 22.12 C ATOM 1825 CD LYS A 114 -7.590 36.814 -15.229 1.00 23.25 C ATOM 1826 CE LYS A 114 -7.169 36.735 -13.768 1.00 73.01 C ATOM 1827 NZ LYS A 114 -8.298 37.047 -12.849 1.00 34.00 N1+ ATOM 0 H LYS A 114 -7.431 35.458 -19.784 1.00 23.10 H new ATOM 0 HA LYS A 114 -7.068 37.934 -18.548 1.00 35.34 H new ATOM 0 HB2 LYS A 114 -7.842 35.821 -17.468 1.00 40.44 H new ATOM 0 HB3 LYS A 114 -6.230 35.153 -17.630 1.00 40.44 H new ATOM 0 HG2 LYS A 114 -5.624 36.088 -15.687 1.00 22.12 H new ATOM 0 HG3 LYS A 114 -5.964 37.684 -16.325 1.00 22.12 H new ATOM 0 HD2 LYS A 114 -8.103 37.759 -15.411 1.00 23.25 H new ATOM 0 HD3 LYS A 114 -8.302 36.018 -15.447 1.00 23.25 H new ATOM 0 HE2 LYS A 114 -6.791 35.736 -13.552 1.00 73.01 H new ATOM 0 HE3 LYS A 114 -6.350 37.432 -13.588 1.00 73.01 H new ATOM 0 HZ1 LYS A 114 -7.972 36.983 -11.864 1.00 34.00 H new ATOM 0 HZ2 LYS A 114 -8.643 38.010 -13.037 1.00 34.00 H new ATOM 0 HZ3 LYS A 114 -9.069 36.367 -13.003 1.00 34.00 H new ATOM 1841 N ALA A 115 -4.309 36.506 -19.546 1.00 54.31 N ATOM 1842 CA ALA A 115 -2.876 36.704 -19.724 1.00 54.11 C ATOM 1843 C ALA A 115 -2.589 38.026 -20.429 1.00 24.53 C ATOM 1844 O ALA A 115 -1.516 38.605 -20.265 1.00 42.22 O ATOM 1845 CB ALA A 115 -2.276 35.545 -20.505 1.00 53.31 C ATOM 0 H ALA A 115 -4.689 35.704 -20.048 1.00 54.31 H new ATOM 0 HA ALA A 115 -2.413 36.740 -18.738 1.00 54.11 H new ATOM 0 HB1 ALA A 115 -1.205 35.706 -20.630 1.00 53.31 H new ATOM 0 HB2 ALA A 115 -2.442 34.615 -19.961 1.00 53.31 H new ATOM 0 HB3 ALA A 115 -2.751 35.482 -21.484 1.00 53.31 H new ATOM 1851 N GLN A 116 -3.553 38.495 -21.214 1.00 21.03 N ATOM 1852 CA GLN A 116 -3.401 39.747 -21.945 1.00 65.00 C ATOM 1853 C GLN A 116 -3.535 40.944 -21.008 1.00 34.21 C ATOM 1854 O GLN A 116 -2.568 41.665 -20.767 1.00 41.35 O ATOM 1855 CB GLN A 116 -4.442 39.841 -23.062 1.00 22.43 C ATOM 1856 CG GLN A 116 -4.523 38.590 -23.922 1.00 12.10 C ATOM 1857 CD GLN A 116 -3.230 38.304 -24.659 1.00 65.13 C ATOM 1858 OE1 GLN A 116 -2.459 39.215 -24.961 1.00 42.24 O ATOM 1859 NE2 GLN A 116 -2.984 37.032 -24.952 1.00 1.21 N ATOM 0 H GLN A 116 -4.447 38.027 -21.360 1.00 21.03 H new ATOM 0 HA GLN A 116 -2.404 39.762 -22.385 1.00 65.00 H new ATOM 0 HB2 GLN A 116 -5.420 40.033 -22.621 1.00 22.43 H new ATOM 0 HB3 GLN A 116 -4.206 40.694 -23.697 1.00 22.43 H new ATOM 0 HG2 GLN A 116 -4.774 37.736 -23.292 1.00 12.10 H new ATOM 0 HG3 GLN A 116 -5.331 38.702 -24.644 1.00 12.10 H new ATOM 0 HE21 GLN A 116 -3.651 36.308 -24.683 1.00 1.21 H new ATOM 0 HE22 GLN A 116 -2.128 36.779 -25.446 1.00 1.21 H new ATOM 1868 N GLN A 117 -4.739 41.147 -20.484 1.00 2.33 N ATOM 1869 CA GLN A 117 -4.999 42.257 -19.575 1.00 1.50 C ATOM 1870 C GLN A 117 -4.589 43.584 -20.205 1.00 41.32 C ATOM 1871 O GLN A 117 -4.241 44.533 -19.503 1.00 40.43 O ATOM 1872 CB GLN A 117 -4.250 42.051 -18.257 1.00 62.14 C ATOM 1873 CG GLN A 117 -4.937 42.686 -17.060 1.00 2.21 C ATOM 1874 CD GLN A 117 -4.932 41.788 -15.839 1.00 74.23 C ATOM 1875 OE1 GLN A 117 -3.886 41.282 -15.431 1.00 63.12 O ATOM 1876 NE2 GLN A 117 -6.103 41.585 -15.248 1.00 32.20 N ATOM 0 H GLN A 117 -5.550 40.558 -20.673 1.00 2.33 H new ATOM 0 HA GLN A 117 -6.070 42.287 -19.375 1.00 1.50 H new ATOM 0 HB2 GLN A 117 -4.138 40.982 -18.076 1.00 62.14 H new ATOM 0 HB3 GLN A 117 -3.246 42.465 -18.351 1.00 62.14 H new ATOM 0 HG2 GLN A 117 -4.440 43.625 -16.817 1.00 2.21 H new ATOM 0 HG3 GLN A 117 -5.966 42.929 -17.323 1.00 2.21 H new ATOM 0 HE21 GLN A 117 -6.945 42.024 -15.620 1.00 32.20 H new ATOM 0 HE22 GLN A 117 -6.161 40.990 -14.422 1.00 32.20 H new ATOM 1885 N ALA A 118 -4.632 43.642 -21.532 1.00 63.13 N ATOM 1886 CA ALA A 118 -4.266 44.853 -22.256 1.00 32.22 C ATOM 1887 C ALA A 118 -4.585 44.722 -23.741 1.00 31.14 C ATOM 1888 O ALA A 118 -5.065 45.666 -24.368 1.00 41.04 O ATOM 1889 CB ALA A 118 -2.790 45.162 -22.057 1.00 62.42 C ATOM 0 H ALA A 118 -4.917 42.864 -22.127 1.00 63.13 H new ATOM 0 HA ALA A 118 -4.855 45.678 -21.855 1.00 32.22 H new ATOM 0 HB1 ALA A 118 -2.531 46.069 -22.603 1.00 62.42 H new ATOM 0 HB2 ALA A 118 -2.589 45.308 -20.996 1.00 62.42 H new ATOM 0 HB3 ALA A 118 -2.191 44.331 -22.429 1.00 62.42 H new ATOM 1895 N ALA A 119 -4.317 43.545 -24.298 1.00 4.13 N ATOM 1896 CA ALA A 119 -4.577 43.292 -25.710 1.00 23.40 C ATOM 1897 C ALA A 119 -5.867 42.499 -25.896 1.00 32.00 C ATOM 1898 O ALA A 119 -6.036 41.796 -26.891 1.00 54.24 O ATOM 1899 CB ALA A 119 -3.405 42.551 -26.337 1.00 74.11 C ATOM 0 H ALA A 119 -3.920 42.752 -23.793 1.00 4.13 H new ATOM 0 HA ALA A 119 -4.696 44.253 -26.211 1.00 23.40 H new ATOM 0 HB1 ALA A 119 -3.612 42.368 -27.391 1.00 74.11 H new ATOM 0 HB2 ALA A 119 -2.502 43.154 -26.244 1.00 74.11 H new ATOM 0 HB3 ALA A 119 -3.261 41.599 -25.826 1.00 74.11 H new ATOM 1905 N ALA A 120 -6.773 42.618 -24.931 1.00 12.14 N ATOM 1906 CA ALA A 120 -8.048 41.913 -24.991 1.00 5.10 C ATOM 1907 C ALA A 120 -9.192 42.874 -25.296 1.00 2.12 C ATOM 1908 O ALA A 120 -10.342 42.621 -24.933 1.00 50.32 O ATOM 1909 CB ALA A 120 -8.307 41.180 -23.683 1.00 62.02 C ATOM 0 H ALA A 120 -6.648 43.195 -24.099 1.00 12.14 H new ATOM 0 HA ALA A 120 -7.995 41.184 -25.799 1.00 5.10 H new ATOM 0 HB1 ALA A 120 -9.262 40.658 -23.741 1.00 62.02 H new ATOM 0 HB2 ALA A 120 -7.509 40.459 -23.506 1.00 62.02 H new ATOM 0 HB3 ALA A 120 -8.335 41.898 -22.863 1.00 62.02 H new ATOM 1915 N ASP A 121 -8.870 43.976 -25.963 1.00 14.45 N ATOM 1916 CA ASP A 121 -9.872 44.976 -26.317 1.00 71.24 C ATOM 1917 C ASP A 121 -10.254 44.864 -27.790 1.00 13.34 C ATOM 1918 O ASP A 121 -10.563 45.863 -28.440 1.00 73.33 O ATOM 1919 CB ASP A 121 -9.349 46.381 -26.019 1.00 41.31 C ATOM 1920 CG ASP A 121 -10.467 47.391 -25.847 1.00 32.35 C ATOM 1921 OD1 ASP A 121 -11.007 47.494 -24.726 1.00 45.31 O ATOM 1922 OD2 ASP A 121 -10.802 48.078 -26.834 1.00 14.02 O1- ATOM 0 H ASP A 121 -7.923 44.200 -26.270 1.00 14.45 H new ATOM 0 HA ASP A 121 -10.761 44.793 -25.714 1.00 71.24 H new ATOM 0 HB2 ASP A 121 -8.744 46.356 -25.113 1.00 41.31 H new ATOM 0 HB3 ASP A 121 -8.695 46.702 -26.830 1.00 41.31 H new ATOM 1927 N THR A 122 -10.231 43.641 -28.311 1.00 71.21 N ATOM 1928 CA THR A 122 -10.571 43.399 -29.707 1.00 32.33 C ATOM 1929 C THR A 122 -12.054 43.076 -29.862 1.00 51.52 C ATOM 1930 O THR A 122 -12.763 42.878 -28.877 1.00 64.02 O ATOM 1931 CB THR A 122 -9.742 42.242 -30.295 1.00 64.03 C ATOM 1932 OG1 THR A 122 -10.018 41.030 -29.585 1.00 14.15 O ATOM 1933 CG2 THR A 122 -8.254 42.551 -30.221 1.00 54.04 C ATOM 0 H THR A 122 -9.980 42.803 -27.787 1.00 71.21 H new ATOM 0 HA THR A 122 -10.341 44.314 -30.252 1.00 32.33 H new ATOM 0 HB THR A 122 -10.021 42.120 -31.342 1.00 64.03 H new ATOM 0 HG1 THR A 122 -9.488 40.299 -29.967 1.00 14.15 H new ATOM 0 HG21 THR A 122 -7.688 41.720 -30.642 1.00 54.04 H new ATOM 0 HG22 THR A 122 -8.042 43.458 -30.787 1.00 54.04 H new ATOM 0 HG23 THR A 122 -7.964 42.697 -29.180 1.00 54.04 H new ATOM 1941 N GLY A 123 -12.516 43.024 -31.109 1.00 1.50 N ATOM 1942 CA GLY A 123 -13.911 42.725 -31.371 1.00 22.54 C ATOM 1943 C GLY A 123 -14.351 41.416 -30.744 1.00 64.43 C ATOM 1944 O GLY A 123 -13.840 40.352 -31.091 1.00 52.31 O ATOM 0 H GLY A 123 -11.948 43.184 -31.941 1.00 1.50 H new ATOM 0 HA2 GLY A 123 -14.531 43.535 -30.987 1.00 22.54 H new ATOM 0 HA3 GLY A 123 -14.074 42.682 -32.448 1.00 22.54 H new ATOM 1948 N ASN A 124 -15.300 41.495 -29.817 1.00 24.21 N ATOM 1949 CA ASN A 124 -15.806 40.307 -29.139 1.00 35.43 C ATOM 1950 C ASN A 124 -17.015 40.648 -28.273 1.00 44.12 C ATOM 1951 O ASN A 124 -17.271 41.815 -27.981 1.00 3.54 O ATOM 1952 CB ASN A 124 -14.709 39.679 -28.278 1.00 62.31 C ATOM 1953 CG ASN A 124 -14.469 40.449 -26.993 1.00 55.44 C ATOM 1954 OD1 ASN A 124 -14.264 41.663 -27.014 1.00 55.10 O ATOM 1955 ND2 ASN A 124 -14.494 39.745 -25.868 1.00 62.43 N ATOM 0 H ASN A 124 -15.734 42.368 -29.518 1.00 24.21 H new ATOM 0 HA ASN A 124 -16.116 39.590 -29.899 1.00 35.43 H new ATOM 0 HB2 ASN A 124 -14.984 38.652 -28.037 1.00 62.31 H new ATOM 0 HB3 ASN A 124 -13.782 39.635 -28.850 1.00 62.31 H new ATOM 0 HD21 ASN A 124 -14.340 40.209 -24.973 1.00 62.43 H new ATOM 0 HD22 ASN A 124 -14.668 38.740 -25.899 1.00 62.43 H new ATOM 1962 N ASN A 125 -17.752 39.622 -27.864 1.00 32.52 N ATOM 1963 CA ASN A 125 -18.934 39.812 -27.031 1.00 41.32 C ATOM 1964 C ASN A 125 -18.630 39.485 -25.572 1.00 52.11 C ATOM 1965 O ASN A 125 -17.521 39.067 -25.237 1.00 35.12 O ATOM 1966 CB ASN A 125 -20.085 38.937 -27.533 1.00 43.03 C ATOM 1967 CG ASN A 125 -19.645 37.515 -27.820 1.00 34.30 C ATOM 1968 OD1 ASN A 125 -19.667 36.656 -26.939 1.00 4.12 O ATOM 1969 ND2 ASN A 125 -19.244 37.259 -29.060 1.00 34.45 N ATOM 0 H ASN A 125 -17.552 38.649 -28.096 1.00 32.52 H new ATOM 0 HA ASN A 125 -19.229 40.859 -27.096 1.00 41.32 H new ATOM 0 HB2 ASN A 125 -20.881 38.925 -26.788 1.00 43.03 H new ATOM 0 HB3 ASN A 125 -20.503 39.375 -28.439 1.00 43.03 H new ATOM 0 HD21 ASN A 125 -18.938 36.320 -29.313 1.00 34.45 H new ATOM 0 HD22 ASN A 125 -19.242 38.002 -29.759 1.00 34.45 H new ATOM 1976 N SER A 126 -19.622 39.677 -24.709 1.00 33.40 N ATOM 1977 CA SER A 126 -19.461 39.405 -23.286 1.00 64.43 C ATOM 1978 C SER A 126 -20.357 38.251 -22.847 1.00 70.12 C ATOM 1979 O SER A 126 -21.160 37.744 -23.630 1.00 13.12 O ATOM 1980 CB SER A 126 -19.783 40.656 -22.466 1.00 44.10 C ATOM 1981 OG SER A 126 -18.621 41.163 -21.831 1.00 72.41 O ATOM 0 H SER A 126 -20.546 40.020 -24.971 1.00 33.40 H new ATOM 0 HA SER A 126 -18.423 39.122 -23.112 1.00 64.43 H new ATOM 0 HB2 SER A 126 -20.209 41.421 -23.115 1.00 44.10 H new ATOM 0 HB3 SER A 126 -20.537 40.419 -21.716 1.00 44.10 H new ATOM 0 HG SER A 126 -18.853 41.963 -21.315 1.00 72.41 H new ATOM 1987 N GLN A 127 -20.213 37.843 -21.591 1.00 30.41 N ATOM 1988 CA GLN A 127 -21.010 36.748 -21.049 1.00 21.12 C ATOM 1989 C GLN A 127 -20.850 36.657 -19.534 1.00 55.11 C ATOM 1990 O GLN A 127 -20.069 37.398 -18.937 1.00 60.41 O ATOM 1991 CB GLN A 127 -20.603 35.423 -21.696 1.00 61.12 C ATOM 1992 CG GLN A 127 -19.133 35.081 -21.513 1.00 2.44 C ATOM 1993 CD GLN A 127 -18.877 33.588 -21.510 1.00 42.22 C ATOM 1994 OE1 GLN A 127 -19.567 32.826 -22.189 1.00 44.45 O ATOM 1995 NE2 GLN A 127 -17.882 33.159 -20.743 1.00 43.45 N ATOM 0 H GLN A 127 -19.553 38.253 -20.930 1.00 30.41 H new ATOM 0 HA GLN A 127 -22.057 36.948 -21.275 1.00 21.12 H new ATOM 0 HB2 GLN A 127 -21.209 34.621 -21.274 1.00 61.12 H new ATOM 0 HB3 GLN A 127 -20.827 35.465 -22.762 1.00 61.12 H new ATOM 0 HG2 GLN A 127 -18.554 35.543 -22.313 1.00 2.44 H new ATOM 0 HG3 GLN A 127 -18.779 35.508 -20.575 1.00 2.44 H new ATOM 0 HE21 GLN A 127 -17.336 33.825 -20.197 1.00 43.45 H new ATOM 0 HE22 GLN A 127 -17.664 32.164 -20.700 1.00 43.45 H new ATOM 2004 N VAL A 128 -21.596 35.745 -18.919 1.00 10.35 N ATOM 2005 CA VAL A 128 -21.537 35.557 -17.475 1.00 60.31 C ATOM 2006 C VAL A 128 -20.101 35.352 -17.005 1.00 61.20 C ATOM 2007 O VAL A 128 -19.350 34.574 -17.594 1.00 13.21 O ATOM 2008 CB VAL A 128 -22.389 34.353 -17.030 1.00 63.24 C ATOM 2009 CG1 VAL A 128 -21.919 33.082 -17.723 1.00 50.44 C ATOM 2010 CG2 VAL A 128 -22.338 34.194 -15.518 1.00 2.13 C ATOM 0 H VAL A 128 -22.248 35.125 -19.399 1.00 10.35 H new ATOM 0 HA VAL A 128 -21.938 36.463 -17.021 1.00 60.31 H new ATOM 0 HB VAL A 128 -23.424 34.536 -17.319 1.00 63.24 H new ATOM 0 HG11 VAL A 128 -22.532 32.242 -17.397 1.00 50.44 H new ATOM 0 HG12 VAL A 128 -22.011 33.201 -18.803 1.00 50.44 H new ATOM 0 HG13 VAL A 128 -20.877 32.892 -17.467 1.00 50.44 H new ATOM 0 HG21 VAL A 128 -22.945 33.339 -15.221 1.00 2.13 H new ATOM 0 HG22 VAL A 128 -21.307 34.033 -15.204 1.00 2.13 H new ATOM 0 HG23 VAL A 128 -22.725 35.096 -15.044 1.00 2.13 H new ATOM 2020 N SER A 129 -19.726 36.055 -15.941 1.00 74.53 N ATOM 2021 CA SER A 129 -18.379 35.952 -15.394 1.00 65.24 C ATOM 2022 C SER A 129 -18.416 35.863 -13.871 1.00 73.14 C ATOM 2023 O SER A 129 -18.704 36.846 -13.189 1.00 54.20 O ATOM 2024 CB SER A 129 -17.537 37.154 -15.825 1.00 12.41 C ATOM 2025 OG SER A 129 -17.952 37.639 -17.091 1.00 24.14 O ATOM 0 H SER A 129 -20.336 36.702 -15.441 1.00 74.53 H new ATOM 0 HA SER A 129 -17.925 35.041 -15.783 1.00 65.24 H new ATOM 0 HB2 SER A 129 -17.622 37.947 -15.082 1.00 12.41 H new ATOM 0 HB3 SER A 129 -16.486 36.869 -15.868 1.00 12.41 H new ATOM 0 HG SER A 129 -17.400 38.408 -17.344 1.00 24.14 H new ATOM 2031 N GLN A 130 -18.121 34.678 -13.346 1.00 14.13 N ATOM 2032 CA GLN A 130 -18.122 34.461 -11.905 1.00 31.13 C ATOM 2033 C GLN A 130 -16.855 35.022 -11.269 1.00 2.30 C ATOM 2034 O GLN A 130 -15.760 34.502 -11.479 1.00 11.05 O ATOM 2035 CB GLN A 130 -18.244 32.967 -11.593 1.00 1.52 C ATOM 2036 CG GLN A 130 -19.634 32.554 -11.135 1.00 64.23 C ATOM 2037 CD GLN A 130 -19.621 31.285 -10.305 1.00 61.42 C ATOM 2038 OE1 GLN A 130 -18.780 30.407 -10.506 1.00 12.13 O ATOM 2039 NE2 GLN A 130 -20.554 31.182 -9.365 1.00 53.45 N ATOM 0 H GLN A 130 -17.879 33.855 -13.897 1.00 14.13 H new ATOM 0 HA GLN A 130 -18.981 34.985 -11.485 1.00 31.13 H new ATOM 0 HB2 GLN A 130 -17.978 32.395 -12.482 1.00 1.52 H new ATOM 0 HB3 GLN A 130 -17.523 32.706 -10.819 1.00 1.52 H new ATOM 0 HG2 GLN A 130 -20.075 33.362 -10.551 1.00 64.23 H new ATOM 0 HG3 GLN A 130 -20.271 32.407 -12.007 1.00 64.23 H new ATOM 0 HE21 GLN A 130 -21.231 31.934 -9.233 1.00 53.45 H new ATOM 0 HE22 GLN A 130 -20.594 30.351 -8.775 1.00 53.45 H new ATOM 2048 N ASN A 131 -17.012 36.089 -10.490 1.00 73.41 N ATOM 2049 CA ASN A 131 -15.880 36.723 -9.824 1.00 33.41 C ATOM 2050 C ASN A 131 -15.348 35.840 -8.699 1.00 53.45 C ATOM 2051 O ASN A 131 -16.116 35.198 -7.983 1.00 32.31 O ATOM 2052 CB ASN A 131 -16.288 38.088 -9.267 1.00 72.40 C ATOM 2053 CG ASN A 131 -17.504 38.004 -8.364 1.00 51.12 C ATOM 2054 OD1 ASN A 131 -18.633 38.218 -8.804 1.00 74.24 O ATOM 2055 ND2 ASN A 131 -17.276 37.692 -7.094 1.00 4.23 N ATOM 0 H ASN A 131 -17.912 36.532 -10.305 1.00 73.41 H new ATOM 0 HA ASN A 131 -15.088 36.861 -10.560 1.00 33.41 H new ATOM 0 HB2 ASN A 131 -15.454 38.514 -8.710 1.00 72.40 H new ATOM 0 HB3 ASN A 131 -16.499 38.766 -10.094 1.00 72.40 H new ATOM 0 HD21 ASN A 131 -18.054 37.621 -6.439 1.00 4.23 H new ATOM 0 HD22 ASN A 131 -16.322 37.523 -6.774 1.00 4.23 H new ATOM 2062 N TYR A 132 -14.028 35.815 -8.549 1.00 33.20 N ATOM 2063 CA TYR A 132 -13.391 35.011 -7.512 1.00 35.43 C ATOM 2064 C TYR A 132 -13.805 33.547 -7.629 1.00 21.23 C ATOM 2065 O TYR A 132 -12.966 32.707 -7.954 1.00 22.13 O ATOM 2066 CB TYR A 132 -13.756 35.546 -6.127 1.00 10.44 C ATOM 2067 CG TYR A 132 -12.615 36.252 -5.431 1.00 43.43 C ATOM 2068 CD1 TYR A 132 -12.221 37.527 -5.819 1.00 45.14 C ATOM 2069 CD2 TYR A 132 -11.930 35.645 -4.386 1.00 63.54 C ATOM 2070 CE1 TYR A 132 -11.177 38.175 -5.187 1.00 11.43 C ATOM 2071 CE2 TYR A 132 -10.886 36.286 -3.747 1.00 14.52 C ATOM 2072 CZ TYR A 132 -10.513 37.551 -4.151 1.00 14.24 C ATOM 2073 OH TYR A 132 -9.475 38.194 -3.517 1.00 54.23 O ATOM 0 H TYR A 132 -13.378 36.342 -9.132 1.00 33.20 H new ATOM 0 HA TYR A 132 -12.311 35.077 -7.647 1.00 35.43 H new ATOM 0 HB2 TYR A 132 -14.595 36.236 -6.223 1.00 10.44 H new ATOM 0 HB3 TYR A 132 -14.094 34.718 -5.504 1.00 10.44 H new ATOM 0 HD1 TYR A 132 -12.740 38.020 -6.628 1.00 45.14 H new ATOM 0 HD2 TYR A 132 -12.219 34.654 -4.067 1.00 63.54 H new ATOM 0 HE1 TYR A 132 -10.882 39.165 -5.502 1.00 11.43 H new ATOM 0 HE2 TYR A 132 -10.365 35.799 -2.936 1.00 14.52 H new ATOM 0 HH TYR A 132 -9.116 37.618 -2.810 1.00 54.23 H new TER 2083 TYR A 132 HETATM 2084 O1 PC8 A 300 1.743 18.360 -30.340 1.00 50.32 O HETATM 2085 O2 PC8 A 300 3.920 17.619 -31.311 1.00 45.02 O HETATM 2086 P1 PC8 A 300 3.001 17.681 -30.023 1.00 74.50 P HETATM 2087 O3 PC8 A 300 3.819 18.414 -28.862 1.00 21.22 O HETATM 2088 C1 PC8 A 300 4.193 19.791 -29.060 1.00 3.42 C HETATM 2089 C2 PC8 A 300 5.692 19.996 -29.418 1.00 3.12 C HETATM 2090 N1 PC8 A 300 6.049 21.089 -30.418 1.00 53.15 N HETATM 2091 C3 PC8 A 300 5.463 22.429 -30.037 1.00 73.01 C HETATM 2092 C4 PC8 A 300 7.555 21.226 -30.412 1.00 11.03 C HETATM 2093 C5 PC8 A 300 5.599 20.737 -31.819 1.00 24.11 C HETATM 2094 O4 PC8 A 300 2.725 16.171 -29.560 1.00 25.32 O HETATM 2095 C6 PC8 A 300 3.817 15.225 -29.679 1.00 15.33 C HETATM 2096 C7 PC8 A 300 3.441 13.765 -29.286 1.00 43.03 C HETATM 2097 C8 PC8 A 300 4.642 12.791 -29.261 1.00 73.54 C HETATM 2098 O5 PC8 A 300 5.278 12.743 -30.544 1.00 1.24 O HETATM 2099 C9 PC8 A 300 4.737 12.264 -31.700 1.00 65.15 C HETATM 2100 O6 PC8 A 300 4.039 13.003 -32.434 1.00 12.43 O HETATM 2101 C10 PC8 A 300 4.990 10.845 -32.026 1.00 2.32 C HETATM 2102 C11 PC8 A 300 6.272 10.573 -32.859 1.00 31.43 C HETATM 2103 C12 PC8 A 300 7.384 9.885 -32.023 1.00 61.13 C HETATM 2104 C13 PC8 A 300 7.623 8.410 -32.445 1.00 4.31 C HETATM 2105 C14 PC8 A 300 9.123 8.016 -32.396 1.00 1.11 C HETATM 2106 C15 PC8 A 300 9.621 7.737 -30.953 1.00 71.31 C HETATM 2107 C16 PC8 A 300 9.841 6.231 -30.681 1.00 1.14 C HETATM 2108 O7 PC8 A 300 2.789 13.669 -28.007 1.00 71.43 O HETATM 2109 C17 PC8 A 300 2.061 12.626 -27.505 1.00 61.10 C HETATM 2110 O8 PC8 A 300 2.636 11.629 -27.002 1.00 11.23 O HETATM 2111 C18 PC8 A 300 0.585 12.727 -27.549 1.00 3.02 C HETATM 2112 C19 PC8 A 300 -0.084 13.271 -26.256 1.00 2.42 C HETATM 2113 C20 PC8 A 300 -1.550 12.788 -26.087 1.00 32.22 C HETATM 2114 C21 PC8 A 300 -1.639 11.330 -25.562 1.00 44.15 C HETATM 2115 C22 PC8 A 300 -1.264 11.205 -24.061 1.00 61.42 C HETATM 2116 C23 PC8 A 300 -2.367 11.768 -23.126 1.00 10.51 C HETATM 2117 C24 PC8 A 300 -3.637 10.889 -23.094 1.00 10.31 C HETATM 0 H9 PC8 A 300 8.008 20.278 -30.703 1.00 11.03 H new HETATM 0 H8 PC8 A 300 7.853 22.002 -31.118 1.00 11.03 H new HETATM 0 H7 PC8 A 300 4.377 22.352 -29.995 1.00 73.01 H new HETATM 0 H6 PC8 A 300 5.844 22.728 -29.060 1.00 73.01 H new HETATM 0 H5 PC8 A 300 5.746 23.174 -30.780 1.00 73.01 H new HETATM 0 H48 PC8 A 300 -4.057 10.820 -24.097 1.00 10.31 H new HETATM 0 H47 PC8 A 300 -3.380 9.891 -22.739 1.00 10.31 H new HETATM 0 H46 PC8 A 300 -4.371 11.335 -22.423 1.00 10.31 H new HETATM 0 H45 PC8 A 300 -1.968 11.858 -22.116 1.00 10.51 H new HETATM 0 H44 PC8 A 300 -2.635 12.773 -23.453 1.00 10.51 H new HETATM 0 H43 PC8 A 300 -1.087 10.157 -23.820 1.00 61.42 H new HETATM 0 H42 PC8 A 300 -0.330 11.736 -23.877 1.00 61.42 H new HETATM 0 H41 PC8 A 300 -2.652 10.957 -25.710 1.00 44.15 H new HETATM 0 H40 PC8 A 300 -0.976 10.696 -26.151 1.00 44.15 H new HETATM 0 H4 PC8 A 300 6.230 20.202 -28.493 1.00 3.12 H new HETATM 0 H39 PC8 A 300 -2.070 13.452 -25.397 1.00 32.22 H new HETATM 0 H38 PC8 A 300 -2.065 12.858 -27.045 1.00 32.22 H new HETATM 0 H37 PC8 A 300 0.499 12.956 -25.391 1.00 2.42 H new HETATM 0 H36 PC8 A 300 -0.065 14.361 -26.274 1.00 2.42 H new HETATM 0 H35 PC8 A 300 0.306 13.373 -28.382 1.00 3.02 H new HETATM 0 H34 PC8 A 300 0.176 11.739 -27.762 1.00 3.02 H new HETATM 0 H33 PC8 A 300 8.902 5.695 -30.820 1.00 1.14 H new HETATM 0 H32 PC8 A 300 10.587 5.841 -31.373 1.00 1.14 H new HETATM 0 H31 PC8 A 300 10.189 6.093 -29.657 1.00 1.14 H new HETATM 0 H30 PC8 A 300 10.555 8.273 -30.785 1.00 71.31 H new HETATM 0 H3 PC8 A 300 6.074 19.052 -29.806 1.00 3.12 H new HETATM 0 H29 PC8 A 300 8.896 8.129 -30.240 1.00 71.31 H new HETATM 0 H28 PC8 A 300 9.282 7.129 -33.009 1.00 1.11 H new HETATM 0 H27 PC8 A 300 9.719 8.817 -32.834 1.00 1.11 H new HETATM 0 H26 PC8 A 300 7.055 7.751 -31.788 1.00 4.31 H new HETATM 0 H25 PC8 A 300 7.243 8.258 -33.455 1.00 4.31 H new HETATM 0 H24 PC8 A 300 8.313 10.445 -32.131 1.00 61.13 H new HETATM 0 H23 PC8 A 300 7.113 9.918 -30.968 1.00 61.13 H new HETATM 0 H22 PC8 A 300 6.021 9.944 -33.713 1.00 31.43 H new HETATM 0 H21 PC8 A 300 6.650 11.515 -33.257 1.00 31.43 H new HETATM 0 H20 PC8 A 300 5.055 10.282 -31.095 1.00 2.32 H new HETATM 0 H2 PC8 A 300 3.579 20.212 -29.856 1.00 3.42 H new HETATM 0 H19 PC8 A 300 4.132 10.457 -32.574 1.00 2.32 H new HETATM 0 H18 PC8 A 300 5.360 13.109 -28.505 1.00 73.54 H new HETATM 0 H17 PC8 A 300 4.303 11.794 -28.979 1.00 73.54 H new HETATM 0 H16 PC8 A 300 2.754 13.472 -30.080 1.00 43.03 H new HETATM 0 H15 PC8 A 300 4.178 15.231 -30.707 1.00 15.33 H new HETATM 0 H14 PC8 A 300 4.642 15.558 -29.049 1.00 15.33 H new HETATM 0 H13 PC8 A 300 6.083 19.813 -32.135 1.00 24.11 H new HETATM 0 H12 PC8 A 300 4.517 20.603 -31.831 1.00 24.11 H new HETATM 0 H11 PC8 A 300 5.872 21.542 -32.502 1.00 24.11 H new HETATM 0 H10 PC8 A 300 7.892 21.497 -29.411 1.00 11.03 H new HETATM 0 H1 PC8 A 300 3.967 20.352 -28.153 1.00 3.42 H new